A0A077ZG71_TRITR Loading...

Zf-CCHC domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZG71, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 410 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.1Very low70Confident246 Ų246116.6 Ų116.6100%1.21264%0.641SS**  097.70-74173.5170.500107.7K3M1-K3 PolarHBondContact O-N 3.2Å
2T47.2Very low71.6Confident139 Ų139107.6 Ų107.685%0.85359%0.59SS**PPolyproline II helixtrans-68.7121.1171.7350000107.5
3K55.3Low72.9Confident194 Ų194106 Ų10684%0.84358%0.581SS**PPolyproline II helixtrans-53.9127.1168-93.6-179.1174179.90106.9M1 Y5M1-K3 PolarHBondContact O-N 3.2Å; K3-Y5 PolarHBondContact O-N 3.47Å
4P68.2Low74Confident112 Ų112102.5 Ų102.573%0.72756%0.561SS**PPolyproline II helixtrans-58.5131.516924.9-30.7000107.3
5Y72.7Confident75Confident148 Ų148103.7 Ų103.758%0.5857%0.572SS**PPolyproline II helixtrans-60.4139.4169.3-69.6-66.4000108.5K3 G7 F31 N35 L37K3-Y5 PolarHBondContact O-N 3.47Å; Y5-G7 PolarHBondContact O-N 2.94Å; Y5-F31 HydrophobicContact CD1-CE1 4.48Å; Y5-F31 HydrophobicContact CG-CZ 4.35Å; Y5-N35 VanDerWaalsContact C-OD1 3.29Å; Y5-N35 WeakPolarHBondContact CA-OD1 3.37Å; Y5-N35 WeakPolarHBondContact CB-OD1 3.04Å; Y5-N35 HydrophobicContact CD1-CB 4.04Å; Y5-N35 WeakPolarHBondContact CD1-OD1 3.31Å; Y5-L37 HydrophobicContact CD1-CD1 4.44Å; Y5-L37 HydrophobicContact CE1-CD1 3.89Å; Y5-L37 HydrophobicContact CE1-CD2 4.31Å
6N75.7Confident75.8Confident105 Ų105100.2 Ų100.256%0.56156%0.561SS**SBendtrans-70.3108.1168.8-68-30.1000108.3A34 N35N6-A34 WeakPolarHBondContact CB-O 3.48Å; N6-A34 PolarHBondContact ND2-O 3.15Å; N6-N35 PolarHBondContact N-OD1 3.49Å; N6-N35 PolarHBondContact O-ND2 3.24Å; N6-N35 VanDerWaalsContact O-ND2 3.11Å
7G75.1Confident76.5Confident60 Ų6095.6 Ų95.662%0.61954%0.542SS*.SBendtrans92160176.800000114.3Y5Y5-G7 PolarHBondContact O-N 2.94Å
8S80.6Confident77.1Confident108 Ų10891.2 Ų91.276%0.75552%0.516SS*.  trans-114127.6171.5175.80000108.3
9L84.8Confident77.4Confident11 Ų1188.4 Ų88.46%0.05850%0.5CS..  trans-96111.4168-176.566.9000108.4W24 R27 L28 F31 H49L9-W24 HydrophobicContact CD2-CZ2 4.08Å; L9-R27 HydrophobicContact CD1-CB 4.01Å; L9-L28 HydrophobicContact CD2-CB 4Å; L9-L28 HydrophobicContact CD2-CD1 3.4Å; L9-L28 HydrophobicContact CD2-CG 4.3Å; L9-F31 HydrophobicContact CB-CD2 3.88Å; L9-F31 HydrophobicContact CB-CE2 4.03Å; L9-H49 HydrophobicContact CD2-CB 4.41Å; L9-H49 PolarHBondContact O-CE1 3.47Å; L9-H49 PolarHBondContact O-ND1 3.16Å
10E86.1Confident78Confident134 Ų13484.7 Ų84.763%0.62648%0.483SS*.PPolyproline II helixtrans-61144.5173.8-66.3178.9165.300110.2W24E10-W24 PolarHBondContact O-NE1 3.43Å
11A86.9Confident78.7Confident26 Ų2680.7 Ų80.722%0.21546%0.46CS..PPolyproline II helixtrans-65142.7175.100000110.6D13 H49 R51A11-D13 PolarHBondContact O-N 2.98Å; A11-H49 WeakPolarHBondContact CA-O 3.28Å; A11-H49 VanDerWaalsContact CB-O 3.28Å; A11-H49 WeakPolarHBondContact CB-O 3.43Å; A11-R51 HydrophobicContact CB-CB 4.49Å; A11-R51 HydrophobicContact CB-CG 3.58Å
12F89.3Confident81.2Confident8 Ų871.5 Ų71.54%0.03541%0.414CS..PPolyproline II helixtrans-59.4135.7178.2-178.5-121000112.4L14 A16 G20 W21 W24 L54 F83F12-L14 HydrophobicContact CD1-CD2 4.01Å; F12-L14 HydrophobicContact CE1-CD2 3.89Å; F12-A16 HydrophobicContact CE2-CB 4.33Å; F12-G20 WeakPolarHBondContact CE2-O 3.35Å; F12-W21 AromaticContact CD1-CE3 3.74Å; F12-W21 HydrophobicContact CD1-CE3 3.74Å; F12-W21 HydrophobicContact CD1-CZ3 4.04Å; F12-W21 HydrophobicContact CD2-CE3 4.39Å; F12-W21 HydrophobicContact CE1-CB 4.45Å; F12-W21 AromaticContact CE1-CE3 3.61Å; F12-W21 HydrophobicContact CE1-CE3 3.61Å; F12-W21 HydrophobicContact CE1-CZ3 4.32Å; F12-W21 HydrophobicContact CE2-CB 4.22Å; F12-W21 HydrophobicContact CE2-CE3 4.33Å; F12-W21 HydrophobicContact CG-CE3 4.13Å; F12-W21 HydrophobicContact CG-CZ3 4.39Å; F12-W21 HydrophobicContact CZ-CB 3.78Å; F12-W21 AromaticContact CZ-CE3 3.94Å; F12-W21 HydrophobicContact CZ-CE3 3.94Å; F12-W24 HydrophobicContact CB-CD2 3.71Å; F12-W24 HydrophobicContact CB-CE3 4.18Å; F12-W24 HydrophobicContact CB-CG 3.93Å; F12-W24 HydrophobicContact CB-CZ2 4.22Å; F12-W24 HydrophobicContact CD2-CB 3.62Å; F12-W24 HydrophobicContact CD2-CD2 4.2Å; F12-W24 AromaticContact CD2-CG 3.69Å; F12-W24 HydrophobicContact CD2-CG 3.69Å; F12-W24 HydrophobicContact CE2-CB 4.21Å; F12-W24 HydrophobicContact CG-CB 4.49Å; F12-W24 HydrophobicContact CG-CD2 4.22Å; F12-W24 HydrophobicContact CG-CG 4.17Å; F12-L54 HydrophobicContact CB-CD2 3.9Å; F12-L54 HydrophobicContact CD1-CD1 4.12Å; F12-L54 HydrophobicContact CD1-CD2 4.06Å; F12-L54 HydrophobicContact CG-CD2 4.41Å; F12-F83 AromaticContact CE1-CE2 3.82Å; F12-F83 HydrophobicContact CE1-CE2 3.82Å; F12-F83 AromaticContact CE1-CZ 3.59Å; F12-F83 HydrophobicContact CE1-CZ 3.59Å; F12-F83 HydrophobicContact CZ-CE2 4.24Å; F12-F83 HydrophobicContact CZ-CZ 4.12Å
13D88Confident83.2Confident87 Ų8769.6 Ų69.647%0.46540%0.399SS..  trans-94.5111.6171.8-176.2-4.4000110A11 T15 A16A11-D13 PolarHBondContact O-N 2.98Å; D13-T15 PolarHBondContact O-N 3.39Å; D13-T15 VanDerWaalsContact O-N 3.09Å; D13-T15 WeakPolarHBondContact OD1-CB 3.34Å; D13-T15 WeakPolarHBondContact OD1-CG2 3.42Å; D13-T15 PolarHBondContact OD1-N 2.97Å; D13-T15 PolarHBondContact OD1-OG1 3.15Å; D13-T15 PolarHBondContact OD2-OG1 2.75Å; D13-A16 WeakPolarHBondContact O-CB 3.08Å; D13-A16 PolarHBondContact O-N 2.87Å
14L88.7Confident85Confident57 Ų5760.7 Ų60.730%0.29836%0.36SS..G310 helixtrans-58.8-22.6179.4-67.6178.2000113.4F12 A16 G17 A53 L54 L57 F83F12-L14 HydrophobicContact CD1-CD2 4.01Å; F12-L14 HydrophobicContact CE1-CD2 3.89Å; L14-A16 PolarHBondContact O-N 2.75Å; L14-G17 PolarHBondContact O-N 3.04Å; L14-A53 HydrophobicContact CD1-CB 3.44Å; L14-A53 VanDerWaalsContact CD1-CB 3.44Å; L14-A53 HydrophobicContact CG-CB 4.47Å; L14-L54 HydrophobicContact CD2-CB 4.3Å; L14-L54 HydrophobicContact CD2-CD1 3.96Å; L14-L57 HydrophobicContact CD2-CD2 3.81Å; L14-F83 HydrophobicContact CD2-CZ 3.83Å
15T89.2Confident86.2Confident120 Ų12056.7 Ų56.774%0.73633%0.332SS*.G310 helixtrans-73.1-16.7179.170.50000112.9D13 G17D13-T15 PolarHBondContact O-N 3.39Å; D13-T15 VanDerWaalsContact O-N 3.09Å; D13-T15 WeakPolarHBondContact OD1-CB 3.34Å; D13-T15 WeakPolarHBondContact OD1-CG2 3.42Å; D13-T15 PolarHBondContact OD1-N 2.97Å; D13-T15 PolarHBondContact OD1-OG1 3.15Å; D13-T15 PolarHBondContact OD2-OG1 2.75Å; T15-G17 PolarHBondContact O-N 3.03Å
16A87.9Confident87.1Confident48 Ų4855.5 Ų55.540%0.39733%0.332SS..G310 helixtrans-74-8.9177.800000113.4F12 D13 L14 G20F12-A16 HydrophobicContact CE2-CB 4.33Å; D13-A16 WeakPolarHBondContact O-CB 3.08Å; D13-A16 PolarHBondContact O-N 2.87Å; L14-A16 PolarHBondContact O-N 2.75Å; A16-G20 PolarHBondContact O-N 3.01Å
17G88.3Confident87.8Confident23 Ų2356.1 Ų56.124%0.23733%0.326CS..Hα-helixtrans62.9-153174.700000113.5L14 T15 W21L14-G17 PolarHBondContact O-N 3.04Å; T15-G17 PolarHBondContact O-N 3.03Å; G17-W21 WeakPolarHBondContact O-CB 3.22Å; G17-W21 PolarHBondContact O-N 2.92Å
18I86.6Confident88.6Confident15 Ų1553.3 Ų53.38%0.07730%0.297CS..Hα-helixtrans-64.2-42.7-178-175.861.8000112.5G20 W21 E22 R80 F83 D84 R120I18-G20 PolarHBondContact O-N 2.88Å; I18-W21 WeakPolarHBondContact O-CB 3.34Å; I18-W21 PolarHBondContact O-N 3.07Å; I18-W21 VanDerWaalsContact O-N 3.11Å; I18-E22 HydrophobicContact CD1-CG 4.31Å; I18-E22 HydrophobicContact CG1-CG 4.45Å; I18-E22 WeakPolarHBondContact O-CG 3.35Å; I18-E22 PolarHBondContact O-N 3.26Å; I18-R80 HydrophobicContact CD1-CG 3.81Å; I18-F83 HydrophobicContact CB-CB 3.83Å; I18-F83 HydrophobicContact CD1-CB 3.99Å; I18-F83 HydrophobicContact CG1-CB 4.48Å; I18-D84 HydrophobicContact CD1-CB 4.34Å; I18-D84 HydrophobicContact CG1-CB 4.26Å; I18-R120 VanDerWaalsContact CG2-NH1 3.32Å
19D83.4Confident89.2Confident38 Ų3849.9 Ų49.920%0.20328%0.279CS..Hα-helixtrans-63.8-46.5-177.3-64.7-9.9000110.8W21 E22 D23 R116 R120D19-W21 PolarHBondContact O-N 2.73Å; D19-E22 PolarHBondContact O-N 3.31Å; D19-D23 PolarHBondContact O-N 3.2Å; D19-D23 VanDerWaalsContact O-N 3.11Å; D19-R116 IonicContact OD2-CZ 2.84Å; D19-R116 IonicContact OD2-NH1 3.76Å; D19-R116 PolarHBondContact OD2-NH1 2.87Å; D19-R120 WeakPolarHBondContact OD1-CD 3.2Å; D19-R120 IonicContact OD1-NH1 3.79Å
20G89.4Confident89.4Confident15 Ų1555.6 Ų55.616%0.15530%0.303CS..Hα-helixtrans-65.8-29.3175.400000113.2F12 A16 I18 W24F12-G20 WeakPolarHBondContact CE2-O 3.35Å; A16-G20 PolarHBondContact O-N 3.01Å; I18-G20 PolarHBondContact O-N 2.88Å; G20-W24 WeakPolarHBondContact O-CB 3.41Å; G20-W24 PolarHBondContact O-N 2.92Å
21W91.7Very high89.6Confident0 Ų050 Ų500%028%0.277CS..Hα-helixtrans-66.2-46.5176174.6-105.1000111.4F12 G17 I18 D19 W24 I25 L46 L54 V76 I79 F83F12-W21 AromaticContact CD1-CE3 3.74Å; F12-W21 HydrophobicContact CD1-CE3 3.74Å; F12-W21 HydrophobicContact CD1-CZ3 4.04Å; F12-W21 HydrophobicContact CD2-CE3 4.39Å; F12-W21 HydrophobicContact CE1-CB 4.45Å; F12-W21 AromaticContact CE1-CE3 3.61Å; F12-W21 HydrophobicContact CE1-CE3 3.61Å; F12-W21 HydrophobicContact CE1-CZ3 4.32Å; F12-W21 HydrophobicContact CE2-CB 4.22Å; F12-W21 HydrophobicContact CE2-CE3 4.33Å; F12-W21 HydrophobicContact CG-CE3 4.13Å; F12-W21 HydrophobicContact CG-CZ3 4.39Å; F12-W21 HydrophobicContact CZ-CB 3.78Å; F12-W21 AromaticContact CZ-CE3 3.94Å; F12-W21 HydrophobicContact CZ-CE3 3.94Å; G17-W21 WeakPolarHBondContact O-CB 3.22Å; G17-W21 PolarHBondContact O-N 2.92Å; I18-W21 WeakPolarHBondContact O-CB 3.34Å; I18-W21 PolarHBondContact O-N 3.07Å; I18-W21 VanDerWaalsContact O-N 3.11Å; D19-W21 PolarHBondContact O-N 2.73Å; W21-W24 HydrophobicContact CE3-CE3 4.35Å; W21-W24 HydrophobicContact CH2-CE3 4.48Å; W21-W24 HydrophobicContact CH2-CZ3 4.29Å; W21-W24 AromaticContact CZ3-CE3 3.91Å; W21-W24 HydrophobicContact CZ3-CE3 3.91Å; W21-W24 AromaticContact CZ3-CZ3 3.99Å; W21-W24 HydrophobicContact CZ3-CZ3 3.99Å; W21-W24 PolarHBondContact O-N 2.94Å; W21-I25 HydrophobicContact CD2-CG1 3.97Å; W21-I25 HydrophobicContact CE3-CG1 4.29Å; W21-I25 HydrophobicContact CH2-CD1 3.58Å; W21-I25 HydrophobicContact CH2-CG1 3.87Å; W21-I25 HydrophobicContact CZ2-CD1 3.55Å; W21-I25 HydrophobicContact CZ2-CG1 3.48Å; W21-I25 VanDerWaalsContact CZ2-CG1 3.48Å; W21-I25 HydrophobicContact CZ3-CD1 4.19Å; W21-I25 HydrophobicContact CZ3-CG1 4.26Å; W21-I25 WeakPolarHBondContact O-CB 3.36Å; W21-I25 WeakPolarHBondContact O-CG1 3.26Å; W21-I25 PolarHBondContact O-N 3.49Å; W21-L46 HydrophobicContact CH2-CD1 4.11Å; W21-L54 HydrophobicContact CZ3-CD1 3.96Å; W21-L54 HydrophobicContact CZ3-CD2 3.97Å; W21-V76 HydrophobicContact CZ2-CG1 4.36Å; W21-V76 HydrophobicContact CZ2-CG2 4.4Å; W21-I79 HydrophobicContact CD2-CG2 3.77Å; W21-I79 HydrophobicContact CE3-CG2 3.94Å; W21-I79 HydrophobicContact CH2-CB 4.07Å; W21-I79 HydrophobicContact CH2-CD1 3.33Å; W21-I79 HydrophobicContact CH2-CG1 4.29Å; W21-I79 HydrophobicContact CH2-CG2 3.7Å; W21-I79 HydrophobicContact CZ2-CB 3.64Å; W21-I79 HydrophobicContact CZ2-CD1 3.59Å; W21-I79 HydrophobicContact CZ2-CG1 4.25Å; W21-I79 HydrophobicContact CZ2-CG2 3.52Å; W21-I79 HydrophobicContact CZ3-CD1 4.26Å; W21-I79 HydrophobicContact CZ3-CG2 3.91Å; W21-F83 HydrophobicContact CB-CD2 3.89Å; W21-F83 HydrophobicContact CB-CE2 4.02Å; W21-F83 HydrophobicContact CD2-CD2 4.31Å; W21-F83 HydrophobicContact CD2-CE2 4.03Å; W21-F83 HydrophobicContact CE3-CE2 4.12Å; W21-F83 AromaticContact CG-CD2 3.87Å; W21-F83 HydrophobicContact CG-CD2 3.87Å; W21-F83 AromaticContact CG-CE2 3.99Å; W21-F83 HydrophobicContact CG-CE2 3.99Å
22E89.2Confident89.8Confident53 Ų5349 Ų4925%0.24827%0.268CS..Hα-helixtrans-61-49.8176.8-59.7-67.913200110.3I18 D19 W24 I25 E26 R80I18-E22 HydrophobicContact CD1-CG 4.31Å; I18-E22 HydrophobicContact CG1-CG 4.45Å; I18-E22 WeakPolarHBondContact O-CG 3.35Å; I18-E22 PolarHBondContact O-N 3.26Å; D19-E22 PolarHBondContact O-N 3.31Å; E22-W24 VanDerWaalsContact C-N 3.3Å; E22-W24 PolarHBondContact O-N 3.01Å; E22-I25 PolarHBondContact O-N 2.87Å; E22-E26 WeakPolarHBondContact O-CG 3.3Å; E22-E26 PolarHBondContact O-N 3.15Å; E22-R80 IonicContact OE1-CZ 2.65Å; E22-R80 IonicContact OE1-NE 3.69Å; E22-R80 IonicContact OE1-NH1 3.87Å; E22-R80 PolarHBondContact OE1-NH1 3.43Å; E22-R80 IonicContact OE1-NH2 3.79Å; E22-R80 IonicContact OE2-CZ 3.19Å; E22-R80 IonicContact OE2-NH1 2.93Å; E22-R80 PolarHBondContact OE2-NH1 3.45Å; E22-R80 IonicContact OE2-NH2 3.57Å
23D89.7Confident89.7Confident100 Ų10055.6 Ų55.654%0.53530%0.299SS..Hα-helixtrans-58-41177.1-71.6-11.9000112.3D19 R27D19-D23 PolarHBondContact O-N 3.2Å; D19-D23 VanDerWaalsContact O-N 3.11Å; D23-R27 VanDerWaalsContact O-CG 3.28Å; D23-R27 WeakPolarHBondContact O-CG 3.32Å; D23-R27 PolarHBondContact O-N 2.92Å
24W93.1Very high89.7Confident7 Ų753.9 Ų53.93%0.02730%0.297CS..Hα-helixtrans-72.3-38.6-178.4-174.288.1000112.5L9 E10 F12 G20 W21 E22 R27 L28 L46 H49L9-W24 HydrophobicContact CD2-CZ2 4.08Å; E10-W24 PolarHBondContact O-NE1 3.43Å; F12-W24 HydrophobicContact CB-CD2 3.71Å; F12-W24 HydrophobicContact CB-CE3 4.18Å; F12-W24 HydrophobicContact CB-CG 3.93Å; F12-W24 HydrophobicContact CB-CZ2 4.22Å; F12-W24 HydrophobicContact CD2-CB 3.62Å; F12-W24 HydrophobicContact CD2-CD2 4.2Å; F12-W24 AromaticContact CD2-CG 3.69Å; F12-W24 HydrophobicContact CD2-CG 3.69Å; F12-W24 HydrophobicContact CE2-CB 4.21Å; F12-W24 HydrophobicContact CG-CB 4.49Å; F12-W24 HydrophobicContact CG-CD2 4.22Å; F12-W24 HydrophobicContact CG-CG 4.17Å; G20-W24 WeakPolarHBondContact O-CB 3.41Å; G20-W24 PolarHBondContact O-N 2.92Å; W21-W24 HydrophobicContact CE3-CE3 4.35Å; W21-W24 HydrophobicContact CH2-CE3 4.48Å; W21-W24 HydrophobicContact CH2-CZ3 4.29Å; W21-W24 AromaticContact CZ3-CE3 3.91Å; W21-W24 HydrophobicContact CZ3-CE3 3.91Å; W21-W24 AromaticContact CZ3-CZ3 3.99Å; W21-W24 HydrophobicContact CZ3-CZ3 3.99Å; W21-W24 PolarHBondContact O-N 2.94Å; E22-W24 VanDerWaalsContact C-N 3.3Å; E22-W24 PolarHBondContact O-N 3.01Å; W24-R27 PolarHBondContact O-N 3.49Å; W24-L28 HydrophobicContact CH2-CD2 3.89Å; W24-L28 HydrophobicContact CZ3-CB 4.45Å; W24-L28 HydrophobicContact CZ3-CD2 3.75Å; W24-L28 WeakPolarHBondContact O-CB 2.91Å; W24-L28 PolarHBondContact O-N 2.93Å; W24-L46 HydrophobicContact CH2-CD1 3.88Å; W24-L46 HydrophobicContact CZ3-CD1 3.65Å; W24-H49 HydrophobicContact CH2-CB 4.31Å; W24-H49 HydrophobicContact CZ2-CB 3.82Å
25I93.5Very high89.8Confident28 Ų2852.1 Ų52.114%0.14429%0.288CS..Hα-helixtrans-67-39.3176.3-75.5-62000111.6W21 E22 R27 L28 G29 F72 V76W21-I25 HydrophobicContact CD2-CG1 3.97Å; W21-I25 HydrophobicContact CE3-CG1 4.29Å; W21-I25 HydrophobicContact CH2-CD1 3.58Å; W21-I25 HydrophobicContact CH2-CG1 3.87Å; W21-I25 HydrophobicContact CZ2-CD1 3.55Å; W21-I25 HydrophobicContact CZ2-CG1 3.48Å; W21-I25 VanDerWaalsContact CZ2-CG1 3.48Å; W21-I25 HydrophobicContact CZ3-CD1 4.19Å; W21-I25 HydrophobicContact CZ3-CG1 4.26Å; W21-I25 WeakPolarHBondContact O-CB 3.36Å; W21-I25 WeakPolarHBondContact O-CG1 3.26Å; W21-I25 PolarHBondContact O-N 3.49Å; E22-I25 PolarHBondContact O-N 2.87Å; I25-R27 VanDerWaalsContact C-N 3.35Å; I25-R27 PolarHBondContact O-N 2.99Å; I25-L28 HydrophobicContact CD1-CD2 4.05Å; I25-L28 WeakPolarHBondContact O-CB 3.41Å; I25-L28 PolarHBondContact O-N 3.31Å; I25-G29 PolarHBondContact O-N 3.34Å; I25-F72 HydrophobicContact CD1-CZ 4.39Å; I25-V76 HydrophobicContact CD1-CG2 3.82Å; I25-V76 HydrophobicContact CG1-CG1 4.37Å; I25-V76 HydrophobicContact CG1-CG2 4.43Å; I25-V76 HydrophobicContact CG2-CG1 4.23Å; I25-V76 HydrophobicContact CG2-CG2 4.49Å
26E91.5Very high89.7Confident123 Ų12353.5 Ų53.558%0.57529%0.291SS*.Hα-helixtrans-58.4-47.8172.1-73-175.5-17600111.1E22 L28 G29 F30E22-E26 WeakPolarHBondContact O-CG 3.3Å; E22-E26 PolarHBondContact O-N 3.15Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 3.46Å; E26-G29 WeakPolarHBondContact O-CA 3.45Å; E26-G29 PolarHBondContact O-N 2.69Å; E26-F30 WeakPolarHBondContact O-CD2 3.17Å; E26-F30 WeakPolarHBondContact O-CE2 3.37Å; E26-F30 PolarHBondContact O-N 3.01Å
27R91.8Very high89.8Confident118 Ų11853.5 Ų53.545%0.44528%0.284SS..Hα-helixtrans-59.8-41175.9-71.3168.762.3-164.61.8112.8L9 D23 W24 I25 G29 F30L9-R27 HydrophobicContact CD1-CB 4.01Å; D23-R27 VanDerWaalsContact O-CG 3.28Å; D23-R27 WeakPolarHBondContact O-CG 3.32Å; D23-R27 PolarHBondContact O-N 2.92Å; W24-R27 PolarHBondContact O-N 3.49Å; I25-R27 VanDerWaalsContact C-N 3.35Å; I25-R27 PolarHBondContact O-N 2.99Å; R27-G29 VanDerWaalsContact C-N 3.27Å; R27-G29 PolarHBondContact O-N 2.9Å; R27-F30 PolarHBondContact O-N 3Å
28L92Very high90Very high0 Ų056.9 Ų56.90%030%0.302CS..Hα-helixtrans-61.8-37.3174.7178.967000111.2L9 W24 I25 E26 F30 F31 P32 L42 L45 L46 F72L9-L28 HydrophobicContact CD2-CB 4Å; L9-L28 HydrophobicContact CD2-CD1 3.4Å; L9-L28 HydrophobicContact CD2-CG 4.3Å; W24-L28 HydrophobicContact CH2-CD2 3.89Å; W24-L28 HydrophobicContact CZ3-CB 4.45Å; W24-L28 HydrophobicContact CZ3-CD2 3.75Å; W24-L28 WeakPolarHBondContact O-CB 2.91Å; W24-L28 PolarHBondContact O-N 2.93Å; I25-L28 HydrophobicContact CD1-CD2 4.05Å; I25-L28 WeakPolarHBondContact O-CB 3.41Å; I25-L28 PolarHBondContact O-N 3.31Å; E26-L28 VanDerWaalsContact C-N 3.33Å; E26-L28 PolarHBondContact O-N 3.46Å; L28-F30 VanDerWaalsContact C-N 3.3Å; L28-F30 PolarHBondContact O-N 3.28Å; L28-F31 VanDerWaalsContact O-CB 3.32Å; L28-F31 WeakPolarHBondContact O-CB 3.46Å; L28-F31 PolarHBondContact O-N 3.36Å; L28-F31 VanDerWaalsContact O-N 3.12Å; L28-P32 VanDerWaalsContact O-CD 3.31Å; L28-P32 WeakPolarHBondContact O-CD 3.3Å; L28-L42 HydrophobicContact CG-CD2 4.19Å; L28-L42 WeakPolarHBondContact O-CD2 3.3Å; L28-L45 HydrophobicContact CD1-CB 3.77Å; L28-L46 HydrophobicContact CD2-CB 4.14Å; L28-L46 HydrophobicContact CD2-CD1 4.22Å; L28-F72 HydrophobicContact CD2-CE2 3.76Å; L28-F72 HydrophobicContact CD2-CZ 4.03Å
29G91.3Very high90Very high37 Ų3761.3 Ų61.338%0.38133%0.329SS..Hα-helixtrans-59.1-34.4177.400000114.2I25 E26 R27 P32I25-G29 PolarHBondContact O-N 3.34Å; E26-G29 WeakPolarHBondContact O-CA 3.45Å; E26-G29 PolarHBondContact O-N 2.69Å; R27-G29 VanDerWaalsContact C-N 3.27Å; R27-G29 PolarHBondContact O-N 2.9Å; G29-P32 WeakPolarHBondContact O-CD 3.48Å
30F89.9Confident90.2Very high130 Ų13063.9 Ų63.957%0.5736%0.355SS*.Hα-helixtrans-80.8-16176.7-61.1-63.3000113.9E26 R27 L28 E33 A34E26-F30 WeakPolarHBondContact O-CD2 3.17Å; E26-F30 WeakPolarHBondContact O-CE2 3.37Å; E26-F30 PolarHBondContact O-N 3.01Å; R27-F30 PolarHBondContact O-N 3Å; L28-F30 VanDerWaalsContact C-N 3.3Å; L28-F30 PolarHBondContact O-N 3.28Å; F30-E33 PolarHBondContact O-N 3.31Å; F30-A34 PolarHBondContact O-N 3.31Å; F30-A34 VanDerWaalsContact O-N 3.09Å
31F90.5Very high90.3Very high18 Ų1864.4 Ų64.48%0.07936%0.357CS..Hα-helixtrans-62.6-43.1-173.8-167.1-86.6000113.5Y5 L9 L28 E33 N35 L45Y5-F31 HydrophobicContact CD1-CE1 4.48Å; Y5-F31 HydrophobicContact CG-CZ 4.35Å; L9-F31 HydrophobicContact CB-CD2 3.88Å; L9-F31 HydrophobicContact CB-CE2 4.03Å; L28-F31 VanDerWaalsContact O-CB 3.32Å; L28-F31 WeakPolarHBondContact O-CB 3.46Å; L28-F31 PolarHBondContact O-N 3.36Å; L28-F31 VanDerWaalsContact O-N 3.12Å; F31-E33 VanDerWaalsContact C-N 3.35Å; F31-E33 PolarHBondContact O-N 2.91Å; F31-N35 WeakPolarHBondContact O-CB 3.48Å; F31-N35 PolarHBondContact O-N 3.3Å; F31-N35 PolarHBondContact O-ND2 2.81Å; F31-L45 HydrophobicContact CB-CD1 4.45Å; F31-L45 HydrophobicContact CD1-CD1 3.66Å; F31-L45 HydrophobicContact CD1-CD2 3.78Å; F31-L45 HydrophobicContact CD1-CG 4.36Å; F31-L45 HydrophobicContact CE1-CD1 4.43Å; F31-L45 HydrophobicContact CE1-CD2 3.74Å; F31-L45 HydrophobicContact CG-CD1 4.46Å
32P90.3Very high90.3Very high3 Ų365.3 Ų65.32%0.01936%0.362CS..Hα-helixtrans-60.3-41.5174.8-22.832.8000113.2L28 G29 N35 N36 L37 L42 L45L28-P32 VanDerWaalsContact O-CD 3.31Å; L28-P32 WeakPolarHBondContact O-CD 3.3Å; G29-P32 WeakPolarHBondContact O-CD 3.48Å; P32-N35 CarbonylContact O-C 3.56Å; P32-N35 PolarHBondContact O-N 3.16Å; P32-N36 PolarHBondContact O-N 3.22Å; P32-L37 HydrophobicContact CB-CB 4.11Å; P32-L37 WeakPolarHBondContact CB-O 3.4Å; P32-L37 PolarHBondContact O-N 3.38Å; P32-L42 HydrophobicContact CG-CD2 3.62Å; P32-L42 HydrophobicContact CG-CG 3.99Å; P32-L45 HydrophobicContact CG-CD1 3.84Å
33E87.7Confident90.4Very high148 Ų14867 Ų6769%0.69237%0.366SS*.Hα-helixtrans-62.3-50.2179.8-175.5-177.617100111.2F30 F31 N35 N36F30-E33 PolarHBondContact O-N 3.31Å; F31-E33 VanDerWaalsContact C-N 3.35Å; F31-E33 PolarHBondContact O-N 2.91Å; E33-N35 PolarHBondContact O-N 3.36Å; E33-N36 PolarHBondContact O-N 2.97Å
34A88.8Confident90.4Very high51 Ų5165.5 Ų65.542%0.42136%0.363SS..Hα-helixtrans-58.9-24.7178.100000113.3N6 F30N6-A34 WeakPolarHBondContact CB-O 3.48Å; N6-A34 PolarHBondContact ND2-O 3.15Å; F30-A34 PolarHBondContact O-N 3.31Å; F30-A34 VanDerWaalsContact O-N 3.09Å
35N89.3Confident90.2Very high20 Ų2065.8 Ų65.811%0.10737%0.365CS..THydrogen-bonded Turntrans-109.84.4-174.3-73.2-75.6000114.5Y5 N6 F31 P32 E33 L37Y5-N35 VanDerWaalsContact C-OD1 3.29Å; Y5-N35 WeakPolarHBondContact CA-OD1 3.37Å; Y5-N35 WeakPolarHBondContact CB-OD1 3.04Å; Y5-N35 HydrophobicContact CD1-CB 4.04Å; Y5-N35 WeakPolarHBondContact CD1-OD1 3.31Å; N6-N35 PolarHBondContact N-OD1 3.49Å; N6-N35 PolarHBondContact O-ND2 3.24Å; N6-N35 VanDerWaalsContact O-ND2 3.11Å; F31-N35 WeakPolarHBondContact O-CB 3.48Å; F31-N35 PolarHBondContact O-N 3.3Å; F31-N35 PolarHBondContact O-ND2 2.81Å; P32-N35 CarbonylContact O-C 3.56Å; P32-N35 PolarHBondContact O-N 3.16Å; E33-N35 PolarHBondContact O-N 3.36Å; N35-L37 HydrophobicContact CB-CD1 3.88Å; N35-L37 HydrophobicContact CB-CG 3.83Å; N35-L37 PolarHBondContact O-N 3.3Å
36N88.9Confident90Very high148 Ų14864.5 Ų64.579%0.79136%0.358SS*.THydrogen-bonded Turntrans51.940.8-174-57.3-77.5000112.9P32 E33P32-N36 PolarHBondContact O-N 3.22Å; E33-N36 PolarHBondContact O-N 2.97Å
37L89.4Confident89.8Confident49 Ų4961.2 Ų61.226%0.25734%0.342SS..  trans-99.3149176.5-58.1172.8000110.6Y5 P32 N35Y5-L37 HydrophobicContact CD1-CD1 4.44Å; Y5-L37 HydrophobicContact CE1-CD1 3.89Å; Y5-L37 HydrophobicContact CE1-CD2 4.31Å; P32-L37 HydrophobicContact CB-CB 4.11Å; P32-L37 WeakPolarHBondContact CB-O 3.4Å; P32-L37 PolarHBondContact O-N 3.38Å; N35-L37 HydrophobicContact CB-CD1 3.88Å; N35-L37 HydrophobicContact CB-CG 3.83Å; N35-L37 PolarHBondContact O-N 3.3Å
38P91.4Very high89.4Confident94 Ų9460.6 Ų60.661%0.6135%0.351SS*.  trans-63.6139.9172.7-18.731.2000111.4A40 C41P38-A40 PolarHBondContact O-N 3.47Å; P38-C41 WeakPolarHBondContact O-CB 3.16Å; P38-C41 PolarHBondContact O-N 2.98Å; P38-C41 PolarHBondContact O-SG 3Å
39V87.8Confident88.9Confident107 Ų10762.3 Ų62.365%0.64836%0.359SS*.G310 helixtrans-52.4-28.5176.1177.90000112.8C41 L42V39-C41 PolarHBondContact O-N 3Å; V39-L42 HydrophobicContact CG1-CD1 3.68Å; V39-L42 HydrophobicContact CG1-CG 4.41Å; V39-L42 WeakPolarHBondContact O-CB 3.48Å; V39-L42 VanDerWaalsContact O-CG 3.3Å; V39-L42 WeakPolarHBondContact O-CG 3.14Å; V39-L42 PolarHBondContact O-N 3.13Å
40A87.9Confident88.3Confident92 Ų9261.3 Ų61.376%0.7635%0.346SS*.G310 helixtrans-56.7-19.117400000114.3P38 L42P38-A40 PolarHBondContact O-N 3.47Å; A40-L42 VanDerWaalsContact C-N 3.31Å
41C90.6Very high87.9Confident27 Ų2762.6 Ų62.618%0.18235%0.347CS..G310 helixtrans-78.2-9.5176.478.60000113.8P38 V39 R43 S44 L45P38-C41 WeakPolarHBondContact O-CB 3.16Å; P38-C41 PolarHBondContact O-N 2.98Å; P38-C41 PolarHBondContact O-SG 3Å; V39-C41 PolarHBondContact O-N 3Å; C41-R43 PolarHBondContact O-N 3.42Å; C41-S44 CarbonylContact O-C 3.45Å; C41-S44 WeakPolarHBondContact O-CA 3.49Å; C41-S44 WeakPolarHBondContact O-CB 3.43Å; C41-S44 PolarHBondContact O-N 2.69Å; C41-L45 WeakPolarHBondContact O-CG 3.32Å; C41-L45 PolarHBondContact O-N 3.49Å; C41-L45 WeakPolarHBondContact SG-CD1 3.26Å
42L91.6Very high87.8Confident19 Ų1966 Ų6610%0.09937%0.372CS..Hα-helixtrans-53.4-40.1-178.3-79.4173.3000112.8L28 P32 V39 A40 S44 L45 L46 F72L28-L42 HydrophobicContact CG-CD2 4.19Å; L28-L42 WeakPolarHBondContact O-CD2 3.3Å; P32-L42 HydrophobicContact CG-CD2 3.62Å; P32-L42 HydrophobicContact CG-CG 3.99Å; V39-L42 HydrophobicContact CG1-CD1 3.68Å; V39-L42 HydrophobicContact CG1-CG 4.41Å; V39-L42 WeakPolarHBondContact O-CB 3.48Å; V39-L42 VanDerWaalsContact O-CG 3.3Å; V39-L42 WeakPolarHBondContact O-CG 3.14Å; V39-L42 PolarHBondContact O-N 3.13Å; A40-L42 VanDerWaalsContact C-N 3.31Å; L42-S44 PolarHBondContact O-N 3.24Å; L42-L45 PolarHBondContact O-N 3.32Å; L42-L46 WeakPolarHBondContact O-CB 3.44Å; L42-L46 PolarHBondContact O-N 3.07Å; L42-F72 HydrophobicContact CB-CD1 4.15Å; L42-F72 HydrophobicContact CB-CD2 3.83Å; L42-F72 HydrophobicContact CB-CE1 4.26Å; L42-F72 HydrophobicContact CB-CE2 3.96Å; L42-F72 HydrophobicContact CB-CG 3.92Å; L42-F72 HydrophobicContact CB-CZ 4.17Å; L42-F72 HydrophobicContact CD1-CD1 4.1Å; L42-F72 HydrophobicContact CD1-CE1 3.91Å; L42-F72 HydrophobicContact CD1-CZ 4.34Å; L42-F72 HydrophobicContact CD2-CZ 4.43Å
43R92.2Very high87.8Confident89 Ų8968 Ų6834%0.33639%0.388SS..Hα-helixtrans-62.5-43.3175.6-169.4178.169.4124.61.4112.4C41 F47 D68 K70 F72 L75C41-R43 PolarHBondContact O-N 3.42Å; R43-F47 HydrophobicContact CG-CD2 4.25Å; R43-F47 HydrophobicContact CG-CE2 3.78Å; R43-F47 WeakPolarHBondContact O-CD2 3.21Å; R43-F47 PolarHBondContact O-N 2.98Å; R43-D68 PolarHBondContact NH1-O 3.42Å; R43-K70 VanDerWaalsContact CD-O 3.31Å; R43-K70 WeakPolarHBondContact CD-O 3.42Å; R43-F72 HydrophobicContact CB-CB 4.28Å; R43-L75 HydrophobicContact CG-CD1 3.86Å
44S88.1Confident87.9Confident67 Ų6761 Ų6147%0.46936%0.356SS..Hα-helixtrans-68-39.3176.8-61.10000111.5C41 L42 F47 T48C41-S44 CarbonylContact O-C 3.45Å; C41-S44 WeakPolarHBondContact O-CA 3.49Å; C41-S44 WeakPolarHBondContact O-CB 3.43Å; C41-S44 PolarHBondContact O-N 2.69Å; L42-S44 PolarHBondContact O-N 3.24Å; S44-F47 PolarHBondContact O-N 3.28Å; S44-T48 WeakPolarHBondContact O-CB 3.43Å; S44-T48 PolarHBondContact O-N 2.94Å; S44-T48 PolarHBondContact O-OG1 3.43Å
45L88.9Confident88Confident14 Ų1463.3 Ų63.37%0.07335%0.354CS..Hα-helixtrans-65.1-42.8175.9-69.5171.5000111.4L28 F31 P32 C41 L42 F47 T48 H49L28-L45 HydrophobicContact CD1-CB 3.77Å; F31-L45 HydrophobicContact CB-CD1 4.45Å; F31-L45 HydrophobicContact CD1-CD1 3.66Å; F31-L45 HydrophobicContact CD1-CD2 3.78Å; F31-L45 HydrophobicContact CD1-CG 4.36Å; F31-L45 HydrophobicContact CE1-CD1 4.43Å; F31-L45 HydrophobicContact CE1-CD2 3.74Å; F31-L45 HydrophobicContact CG-CD1 4.46Å; P32-L45 HydrophobicContact CG-CD1 3.84Å; C41-L45 WeakPolarHBondContact O-CG 3.32Å; C41-L45 PolarHBondContact O-N 3.49Å; C41-L45 WeakPolarHBondContact SG-CD1 3.26Å; L42-L45 PolarHBondContact O-N 3.32Å; L45-F47 PolarHBondContact O-N 3.21Å; L45-T48 PolarHBondContact O-N 2.87Å; L45-T48 VanDerWaalsContact O-N 3.09Å; L45-H49 PolarHBondContact O-CD2 2.95Å; L45-H49 VanDerWaalsContact O-CD2 3.28Å; L45-H49 PolarHBondContact O-N 3.26Å
46L90.2Very high88.1Confident0 Ų069.1 Ų69.10%037%0.374CS..Hα-helixtrans-51.4-56.4172.4177.363.5000109.8W21 W24 L28 L42 T48 H49 C50 F72 L75W21-L46 HydrophobicContact CH2-CD1 4.11Å; W24-L46 HydrophobicContact CH2-CD1 3.88Å; W24-L46 HydrophobicContact CZ3-CD1 3.65Å; L28-L46 HydrophobicContact CD2-CB 4.14Å; L28-L46 HydrophobicContact CD2-CD1 4.22Å; L42-L46 WeakPolarHBondContact O-CB 3.44Å; L42-L46 PolarHBondContact O-N 3.07Å; L46-T48 VanDerWaalsContact C-N 3.27Å; L46-T48 PolarHBondContact O-N 2.74Å; L46-H49 PolarHBondContact O-N 3.28Å; L46-C50 VanDerWaalsContact O-CB 3.29Å; L46-C50 WeakPolarHBondContact O-CB 3.47Å; L46-C50 PolarHBondContact O-N 3.09Å; L46-C50 PolarHBondContact O-SG 3.32Å; L46-F72 HydrophobicContact CB-CD2 4.4Å; L46-F72 HydrophobicContact CB-CE2 4.21Å; L46-F72 HydrophobicContact CD2-CD2 4.23Å; L46-F72 HydrophobicContact CD2-CE2 4.3Å; L46-L75 HydrophobicContact CD2-CB 3.96Å; L46-L75 HydrophobicContact CD2-CD1 4.12Å
47F87.2Confident88.3Confident55 Ų5563.3 Ų63.324%0.24134%0.343CS..Hα-helixtrans-64.2-28178.9-66.6-51000114.6R43 S44 L45 Y55 V58 P67 L75R43-F47 HydrophobicContact CG-CD2 4.25Å; R43-F47 HydrophobicContact CG-CE2 3.78Å; R43-F47 WeakPolarHBondContact O-CD2 3.21Å; R43-F47 PolarHBondContact O-N 2.98Å; S44-F47 PolarHBondContact O-N 3.28Å; L45-F47 PolarHBondContact O-N 3.21Å; F47-Y55 AromaticContact CD1-CD2 3.86Å; F47-Y55 HydrophobicContact CD1-CD2 3.86Å; F47-Y55 AromaticContact CD1-CE2 3.83Å; F47-Y55 HydrophobicContact CD1-CE2 3.83Å; F47-Y55 HydrophobicContact CE1-CD2 4.12Å; F47-Y55 AromaticContact CE1-CE2 3.88Å; F47-Y55 HydrophobicContact CE1-CE2 3.88Å; F47-V58 HydrophobicContact CE1-CG1 4.09Å; F47-P67 HydrophobicContact CE1-CB 3.74Å; F47-P67 HydrophobicContact CZ-CB 3.57Å; F47-L75 HydrophobicContact CE1-CD1 4.49Å; F47-L75 HydrophobicContact CE2-CD1 4.09Å; F47-L75 HydrophobicContact CZ-CD1 3.66Å; F47-L75 HydrophobicContact CZ-CD2 4.27Å
48T82.7Confident88.5Confident104 Ų10461 Ų6164%0.63833%0.331SS*.Hα-helixtrans-74-40.5178.1-580000111.9S44 L45 L46S44-T48 WeakPolarHBondContact O-CB 3.43Å; S44-T48 PolarHBondContact O-N 2.94Å; S44-T48 PolarHBondContact O-OG1 3.43Å; L45-T48 PolarHBondContact O-N 2.87Å; L45-T48 VanDerWaalsContact O-N 3.09Å; L46-T48 VanDerWaalsContact C-N 3.27Å; L46-T48 PolarHBondContact O-N 2.74Å
49H82.8Confident88.6Confident36 Ų3661 Ų6117%0.16732%0.322CS..Hα-helixtrans-91.3-5.6179.6-67.1-84.1000113L9 A11 W24 L45 L46 R51L9-H49 HydrophobicContact CD2-CB 4.41Å; L9-H49 PolarHBondContact O-CE1 3.47Å; L9-H49 PolarHBondContact O-ND1 3.16Å; A11-H49 WeakPolarHBondContact CA-O 3.28Å; A11-H49 VanDerWaalsContact CB-O 3.28Å; A11-H49 WeakPolarHBondContact CB-O 3.43Å; W24-H49 HydrophobicContact CH2-CB 4.31Å; W24-H49 HydrophobicContact CZ2-CB 3.82Å; L45-H49 PolarHBondContact O-CD2 2.95Å; L45-H49 VanDerWaalsContact O-CD2 3.28Å; L45-H49 PolarHBondContact O-N 3.26Å; L46-H49 PolarHBondContact O-N 3.28Å; H49-R51 PolarHBondContact O-N 3.34Å
50C77.1Confident88.9Confident17 Ų1761.6 Ų61.612%0.11532%0.317CS..  trans-66.1110.6168.4-82.90000111L46 L54L46-C50 VanDerWaalsContact O-CB 3.29Å; L46-C50 WeakPolarHBondContact O-CB 3.47Å; L46-C50 PolarHBondContact O-N 3.09Å; L46-C50 PolarHBondContact O-SG 3.32Å; C50-L54 HydrophobicContact CB-CB 4.38Å; C50-L54 HydrophobicContact CB-CD2 4.29Å; C50-L54 HydrophobicContact CB-CG 4.37Å; C50-L54 WeakPolarHBondContact SG-CD2 3.28Å; C50-L54 VanDerWaalsContact SG-CG 3.51Å
51R83Confident89.2Confident156 Ų15658.1 Ų58.159%0.58929%0.289SS*.  trans-61.1159.5160.1-83.1174.6-173.6179.49.6110.3A11 H49 A53 L54 Y55A11-R51 HydrophobicContact CB-CB 4.49Å; A11-R51 HydrophobicContact CB-CG 3.58Å; H49-R51 PolarHBondContact O-N 3.34Å; R51-A53 PolarHBondContact O-N 3.3Å; R51-L54 PolarHBondContact O-N 3.07Å; R51-Y55 PolarHBondContact O-N 3.2Å
52P88.4Confident89.5Confident91 Ų9157.4 Ų57.459%0.59128%0.283SS*.Hα-helixtrans-50.9-32.9179.7-3035.6000114.4R56P52-R56 VanDerWaalsContact O-CG 3.32Å; P52-R56 WeakPolarHBondContact O-CG 3.44Å; P52-R56 PolarHBondContact O-N 3.26Å
53A89.3Confident89.6Confident44 Ų4459.6 Ų59.636%0.36430%0.304SS..Hα-helixtrans-68-46.217800000112.5L14 R51 Y55 R56 L57L14-A53 HydrophobicContact CD1-CB 3.44Å; L14-A53 VanDerWaalsContact CD1-CB 3.44Å; L14-A53 HydrophobicContact CG-CB 4.47Å; R51-A53 PolarHBondContact O-N 3.3Å; A53-Y55 VanDerWaalsContact C-N 3.33Å; A53-Y55 PolarHBondContact O-N 3.39Å; A53-R56 WeakPolarHBondContact O-CB 3.5Å; A53-R56 PolarHBondContact O-N 3.43Å; A53-L57 PolarHBondContact O-N 3.44Å; A53-L57 VanDerWaalsContact O-N 3.07Å
54L89.7Confident89.7Confident2 Ų261.9 Ų61.91%0.0133%0.33CS..Hα-helixtrans-64.5-39.9174.7179.958.2000110.9F12 L14 W21 C50 R51 R56 L57 V58 I79F12-L54 HydrophobicContact CB-CD2 3.9Å; F12-L54 HydrophobicContact CD1-CD1 4.12Å; F12-L54 HydrophobicContact CD1-CD2 4.06Å; F12-L54 HydrophobicContact CG-CD2 4.41Å; L14-L54 HydrophobicContact CD2-CB 4.3Å; L14-L54 HydrophobicContact CD2-CD1 3.96Å; W21-L54 HydrophobicContact CZ3-CD1 3.96Å; W21-L54 HydrophobicContact CZ3-CD2 3.97Å; C50-L54 HydrophobicContact CB-CB 4.38Å; C50-L54 HydrophobicContact CB-CD2 4.29Å; C50-L54 HydrophobicContact CB-CG 4.37Å; C50-L54 WeakPolarHBondContact SG-CD2 3.28Å; C50-L54 VanDerWaalsContact SG-CG 3.51Å; R51-L54 PolarHBondContact O-N 3.07Å; L54-R56 VanDerWaalsContact C-N 3.31Å; L54-R56 PolarHBondContact O-N 3.49Å; L54-L57 HydrophobicContact CD1-CD2 4.22Å; L54-L57 WeakPolarHBondContact O-CB 3.35Å; L54-L57 PolarHBondContact O-N 3.28Å; L54-L57 VanDerWaalsContact O-N 3.16Å; L54-V58 HydrophobicContact CD1-CG2 4.45Å; L54-V58 HydrophobicContact CG-CG2 4.42Å; L54-V58 WeakPolarHBondContact O-CG2 3.49Å; L54-V58 PolarHBondContact O-N 3.29Å; L54-I79 HydrophobicContact CD1-CD1 4.42Å; L54-I79 HydrophobicContact CD1-CG2 4.38Å
55Y91.3Very high90.1Very high99 Ų9963.3 Ų63.339%0.38833%0.33SS..Hα-helixtrans-63.4-34.6175.9-172.5-109.9000113.2F47 R51 A53 V58 K59 P67F47-Y55 AromaticContact CD1-CD2 3.86Å; F47-Y55 HydrophobicContact CD1-CD2 3.86Å; F47-Y55 AromaticContact CD1-CE2 3.83Å; F47-Y55 HydrophobicContact CD1-CE2 3.83Å; F47-Y55 HydrophobicContact CE1-CD2 4.12Å; F47-Y55 AromaticContact CE1-CE2 3.88Å; F47-Y55 HydrophobicContact CE1-CE2 3.88Å; R51-Y55 PolarHBondContact O-N 3.2Å; A53-Y55 VanDerWaalsContact C-N 3.33Å; A53-Y55 PolarHBondContact O-N 3.39Å; Y55-V58 PolarHBondContact O-N 2.95Å; Y55-K59 HydrophobicContact CD1-CD 4.28Å; Y55-K59 HydrophobicContact CE1-CD 3.78Å; Y55-K59 HydrophobicContact CE1-CG 4.15Å; Y55-K59 WeakPolarHBondContact O-CG 3.49Å; Y55-K59 PolarHBondContact O-N 3.27Å; Y55-K59 VanDerWaalsContact O-N 3.08Å; Y55-P67 HydrophobicContact CE2-CB 4.45Å; Y55-P67 HydrophobicContact CE2-CG 4.36Å
56R92.5Very high90.3Very high141 Ų14169.3 Ų69.353%0.53236%0.355SS..Hα-helixtrans-63.1-47.7170.9-73.7176.7-165.1123.3-0.1111.2P52 A53 L54 V58 K59 E60P52-R56 VanDerWaalsContact O-CG 3.32Å; P52-R56 WeakPolarHBondContact O-CG 3.44Å; P52-R56 PolarHBondContact O-N 3.26Å; A53-R56 WeakPolarHBondContact O-CB 3.5Å; A53-R56 PolarHBondContact O-N 3.43Å; L54-R56 VanDerWaalsContact C-N 3.31Å; L54-R56 PolarHBondContact O-N 3.49Å; R56-V58 VanDerWaalsContact C-N 3.29Å; R56-V58 PolarHBondContact O-N 3.44Å; R56-K59 WeakPolarHBondContact O-CB 3.38Å; R56-K59 PolarHBondContact O-N 3.41Å; R56-K59 VanDerWaalsContact O-N 3.15Å; R56-E60 WeakPolarHBondContact O-CG 3.45Å; R56-E60 PolarHBondContact O-N 3.22Å
57L92.2Very high90.4Very high27 Ų2769.9 Ų69.914%0.14136%0.359CS..Hα-helixtrans-57.4-42.9176.4-177.464.6000111.6L14 A53 L54 E60 A61 I79 R82 F83L14-L57 HydrophobicContact CD2-CD2 3.81Å; A53-L57 PolarHBondContact O-N 3.44Å; A53-L57 VanDerWaalsContact O-N 3.07Å; L54-L57 HydrophobicContact CD1-CD2 4.22Å; L54-L57 WeakPolarHBondContact O-CB 3.35Å; L54-L57 PolarHBondContact O-N 3.28Å; L54-L57 VanDerWaalsContact O-N 3.16Å; L57-E60 PolarHBondContact O-N 2.96Å; L57-A61 VanDerWaalsContact O-CB 3.23Å; L57-A61 WeakPolarHBondContact O-CB 3.28Å; L57-A61 PolarHBondContact O-N 3.46Å; L57-I79 HydrophobicContact CD2-CG2 4.04Å; L57-R82 HydrophobicContact CD1-CB 3.87Å; L57-R82 HydrophobicContact CD1-CG 3.91Å; L57-F83 HydrophobicContact CD2-CE1 4.25Å; L57-F83 HydrophobicContact CD2-CE2 3.88Å; L57-F83 HydrophobicContact CD2-CZ 3.53Å
58V93.3Very high90.6Very high0 Ų072 Ų720%037%0.373CS..Hα-helixtrans-58.2-50.7175.6176.50000110.8F47 L54 Y55 R56 E60 A61 V62 P67 L75 I79F47-V58 HydrophobicContact CE1-CG1 4.09Å; L54-V58 HydrophobicContact CD1-CG2 4.45Å; L54-V58 HydrophobicContact CG-CG2 4.42Å; L54-V58 WeakPolarHBondContact O-CG2 3.49Å; L54-V58 PolarHBondContact O-N 3.29Å; Y55-V58 PolarHBondContact O-N 2.95Å; R56-V58 VanDerWaalsContact C-N 3.29Å; R56-V58 PolarHBondContact O-N 3.44Å; V58-E60 VanDerWaalsContact C-N 3.32Å; V58-E60 PolarHBondContact O-N 3.02Å; V58-A61 PolarHBondContact O-N 2.87Å; V58-A61 VanDerWaalsContact O-N 3.15Å; V58-V62 WeakPolarHBondContact O-CG2 3.31Å; V58-V62 PolarHBondContact O-N 3.03Å; V58-V62 VanDerWaalsContact O-N 3.11Å; V58-P67 HydrophobicContact CG1-CB 3.84Å; V58-P67 HydrophobicContact CG1-CG 4Å; V58-L75 HydrophobicContact CG1-CD2 3.55Å; V58-I79 HydrophobicContact CG2-CD1 3.61Å; V58-I79 HydrophobicContact CG2-CG1 4.08Å
59K94.3Very high91.1Very high95 Ų9571.1 Ų71.141%0.41337%0.368SS..Hα-helixtrans-58.7-43.2178.2-74.1-173-60.2169.60112.2Y55 R56 A61 A63 P67Y55-K59 HydrophobicContact CD1-CD 4.28Å; Y55-K59 HydrophobicContact CE1-CD 3.78Å; Y55-K59 HydrophobicContact CE1-CG 4.15Å; Y55-K59 WeakPolarHBondContact O-CG 3.49Å; Y55-K59 PolarHBondContact O-N 3.27Å; Y55-K59 VanDerWaalsContact O-N 3.08Å; R56-K59 WeakPolarHBondContact O-CB 3.38Å; R56-K59 PolarHBondContact O-N 3.41Å; R56-K59 VanDerWaalsContact O-N 3.15Å; K59-A61 VanDerWaalsContact C-N 3.34Å; K59-A63 WeakPolarHBondContact O-CB 3.48Å; K59-A63 PolarHBondContact O-N 3.11Å; K59-P67 HydrophobicContact CB-CG 4.45Å; K59-P67 HydrophobicContact CG-CG 3.68Å
60E94.5Very high91.7Very high119 Ų11971.1 Ų71.156%0.55637%0.367SS*.Hα-helixtrans-67.2-35.5177.4-70.9167.4-163.100111.8R56 L57 V58 R82R56-E60 WeakPolarHBondContact O-CG 3.45Å; R56-E60 PolarHBondContact O-N 3.22Å; L57-E60 PolarHBondContact O-N 2.96Å; V58-E60 VanDerWaalsContact C-N 3.32Å; V58-E60 PolarHBondContact O-N 3.02Å; E60-R82 PolarHBondContact O-NH2 3.44Å
61A93.9Very high92.5Very high19 Ų1972.8 Ų72.816%0.15738%0.379CS..Hα-helixtrans-69.9-32.5-179.900000113.7L57 V58 K59 A78 R82L57-A61 VanDerWaalsContact O-CB 3.23Å; L57-A61 WeakPolarHBondContact O-CB 3.28Å; L57-A61 PolarHBondContact O-N 3.46Å; V58-A61 PolarHBondContact O-N 2.87Å; V58-A61 VanDerWaalsContact O-N 3.15Å; K59-A61 VanDerWaalsContact C-N 3.34Å; A61-A78 HydrophobicContact CB-CB 3.88Å; A61-R82 HydrophobicContact CB-CG 3.77Å
62V95.6Very high93Very high11 Ų1167 Ų677%0.06736%0.358CS..Hα-helixtrans-103.3-3.4-177-53.70000114.3V58 E65 P67 K70 L75 A78V58-V62 WeakPolarHBondContact O-CG2 3.31Å; V58-V62 PolarHBondContact O-N 3.03Å; V58-V62 VanDerWaalsContact O-N 3.11Å; V62-E65 WeakPolarHBondContact O-CA 3.46Å; V62-E65 WeakPolarHBondContact O-CB 3.43Å; V62-E65 PolarHBondContact O-N 3.41Å; V62-P67 HydrophobicContact CG2-CG 4.05Å; V62-K70 HydrophobicContact CB-CG 4.16Å; V62-K70 HydrophobicContact CG1-CG 3.95Å; V62-L75 HydrophobicContact CG1-CD2 3.97Å; V62-A78 HydrophobicContact CG1-CB 4.01Å
63A94.5Very high93.3Very high65 Ų6568.3 Ų68.354%0.53736%0.36SS..THydrogen-bonded Turntrans-56.4140.1178.700000111.6K59K59-A63 WeakPolarHBondContact O-CB 3.48Å; K59-A63 PolarHBondContact O-N 3.11Å
64P95.1Very high93.6Very high137 Ų13770.4 Ų70.489%0.8936%0.362SS*.THydrogen-bonded Turncis-85.5-0.810.535.5-37.5000115.1
65E95.8Very high93.8Very high98 Ų9870.3 Ų70.346%0.45836%0.362SS..SBendtrans-73.7170.6176.3-61.7178.3-121.400111.3V62 K70V62-E65 WeakPolarHBondContact O-CA 3.46Å; V62-E65 WeakPolarHBondContact O-CB 3.43Å; V62-E65 PolarHBondContact O-N 3.41Å; E65-K70 VanDerWaalsContact CD-CE 3.46Å; E65-K70 IonicContact OE1-NZ 3.69Å; E65-K70 PolarHBondContact OE1-NZ 3.01Å; E65-K70 WeakPolarHBondContact OE2-CE 3.47Å; E65-K70 IonicContact OE2-NZ 2.75Å; E65-K70 PolarHBondContact OE2-NZ 3.33Å
66K93.5Very high94Very high139 Ų13966.7 Ų66.760%0.60435%0.35SS*.  trans-100.5149.2180-64.1-179.9-179176.10110.4D68 T69K66-D68 WeakPolarHBondContact CB-OD1 3.5Å; K66-D68 PolarHBondContact O-N 2.89Å; K66-D68 VanDerWaalsContact O-N 3.12Å; K66-T69 HydrophobicContact CB-CG2 4.27Å; K66-T69 PolarHBondContact O-N 3.17Å; K66-T69 PolarHBondContact O-OG1 2.55Å
67P92.3Very high94Very high12 Ų1264.7 Ų64.78%0.07835%0.347CS..G310 helixtrans-56.6-29.6177.7-26.935000114.6F47 Y55 V58 K59 V62 T69 K70 L75F47-P67 HydrophobicContact CE1-CB 3.74Å; F47-P67 HydrophobicContact CZ-CB 3.57Å; Y55-P67 HydrophobicContact CE2-CB 4.45Å; Y55-P67 HydrophobicContact CE2-CG 4.36Å; V58-P67 HydrophobicContact CG1-CB 3.84Å; V58-P67 HydrophobicContact CG1-CG 4Å; K59-P67 HydrophobicContact CB-CG 4.45Å; K59-P67 HydrophobicContact CG-CG 3.68Å; V62-P67 HydrophobicContact CG2-CG 4.05Å; P67-T69 VanDerWaalsContact C-N 3.29Å; P67-T69 PolarHBondContact O-N 3.44Å; P67-K70 PolarHBondContact O-N 3.47Å; P67-L75 HydrophobicContact CB-CD2 4.33Å
68D90.1Very high94.1Very high101 Ų10164.5 Ų64.554%0.5435%0.349SS..G310 helixtrans-76.4-13-179.963.4-22000113.9R43 K66R43-D68 PolarHBondContact NH1-O 3.42Å; K66-D68 WeakPolarHBondContact CB-OD1 3.5Å; K66-D68 PolarHBondContact O-N 2.89Å; K66-D68 VanDerWaalsContact O-N 3.12Å
69T93.8Very high94.1Very high85 Ų8564.5 Ų64.552%0.52135%0.349SS..G310 helixtrans-89.4-9.1175.166.20000113.5K66 P67K66-T69 HydrophobicContact CB-CG2 4.27Å; K66-T69 PolarHBondContact O-N 3.17Å; K66-T69 PolarHBondContact O-OG1 2.55Å; P67-T69 VanDerWaalsContact C-N 3.29Å; P67-T69 PolarHBondContact O-N 3.44Å
70K94.7Very high94Very high35 Ų3564.8 Ų64.815%0.15235%0.348CS..SBendtrans-98.2147.7-179.9-62.6-55.1-166-174.40112.4R43 V62 E65 P67 E74 L75R43-K70 VanDerWaalsContact CD-O 3.31Å; R43-K70 WeakPolarHBondContact CD-O 3.42Å; V62-K70 HydrophobicContact CB-CG 4.16Å; V62-K70 HydrophobicContact CG1-CG 3.95Å; E65-K70 VanDerWaalsContact CD-CE 3.46Å; E65-K70 IonicContact OE1-NZ 3.69Å; E65-K70 PolarHBondContact OE1-NZ 3.01Å; E65-K70 WeakPolarHBondContact OE2-CE 3.47Å; E65-K70 IonicContact OE2-NZ 2.75Å; E65-K70 PolarHBondContact OE2-NZ 3.33Å; P67-K70 PolarHBondContact O-N 3.47Å; K70-E74 HydrophobicContact CB-CB 4.1Å; K70-E74 HydrophobicContact CD-CB 4.28Å; K70-E74 IonicContact NZ-OE1 2.67Å; K70-L75 HydrophobicContact CB-CD2 3.92Å; K70-L75 HydrophobicContact CB-CG 3.81Å
71S94.2Very high93.8Very high52 Ų5262.1 Ų62.136%0.36434%0.339SS..  trans-69.7165.9167.664.40000111.7D73 E74 L75S71-D73 VanDerWaalsContact C-N 3.33Å; S71-D73 PolarHBondContact O-N 2.77Å; S71-E74 WeakPolarHBondContact CB-OE2 3.36Å; S71-E74 PolarHBondContact N-OE2 3.38Å; S71-E74 PolarHBondContact O-N 3.42Å; S71-E74 WeakPolarHBondContact OG-CB 3.21Å; S71-E74 WeakPolarHBondContact OG-CG 3.5Å; S71-E74 PolarHBondContact OG-N 3.41Å; S71-E74 PolarHBondContact OG-OE2 3.4Å; S71-L75 WeakPolarHBondContact O-CD1 3.45Å; S71-L75 VanDerWaalsContact O-CG 3.24Å; S71-L75 WeakPolarHBondContact O-CG 3.33Å; S71-L75 PolarHBondContact O-N 2.85Å
72F94.2Very high93.6Very high34 Ų3467.8 Ų67.815%0.14936%0.357CS..Hα-helixtrans-58.3-46.1175.9175.9-105.9000111.5I25 L28 L42 R43 L46 E74 L75 V76I25-F72 HydrophobicContact CD1-CZ 4.39Å; L28-F72 HydrophobicContact CD2-CE2 3.76Å; L28-F72 HydrophobicContact CD2-CZ 4.03Å; L42-F72 HydrophobicContact CB-CD1 4.15Å; L42-F72 HydrophobicContact CB-CD2 3.83Å; L42-F72 HydrophobicContact CB-CE1 4.26Å; L42-F72 HydrophobicContact CB-CE2 3.96Å; L42-F72 HydrophobicContact CB-CG 3.92Å; L42-F72 HydrophobicContact CB-CZ 4.17Å; L42-F72 HydrophobicContact CD1-CD1 4.1Å; L42-F72 HydrophobicContact CD1-CE1 3.91Å; L42-F72 HydrophobicContact CD1-CZ 4.34Å; L42-F72 HydrophobicContact CD2-CZ 4.43Å; R43-F72 HydrophobicContact CB-CB 4.28Å; L46-F72 HydrophobicContact CB-CD2 4.4Å; L46-F72 HydrophobicContact CB-CE2 4.21Å; L46-F72 HydrophobicContact CD2-CD2 4.23Å; L46-F72 HydrophobicContact CD2-CE2 4.3Å; F72-E74 PolarHBondContact O-N 3.28Å; F72-L75 WeakPolarHBondContact O-CB 3.3Å; F72-L75 PolarHBondContact O-N 2.97Å; F72-V76 HydrophobicContact CD1-CG2 4.29Å; F72-V76 HydrophobicContact CD2-CG2 4.26Å; F72-V76 HydrophobicContact CE1-CG2 3.89Å; F72-V76 HydrophobicContact CE2-CG2 3.85Å; F72-V76 HydrophobicContact CG-CG2 4.47Å; F72-V76 HydrophobicContact CZ-CG2 3.66Å; F72-V76 WeakPolarHBondContact O-CG2 3.36Å; F72-V76 PolarHBondContact O-N 3.02Å
73D94.5Very high93.2Very high119 Ų11969.6 Ų69.664%0.63636%0.364SS*.Hα-helixtrans-64.7-40.7-178.7-59.5-26000112S71 L75 V76 Q77S71-D73 VanDerWaalsContact C-N 3.33Å; S71-D73 PolarHBondContact O-N 2.77Å; D73-L75 VanDerWaalsContact C-N 3.35Å; D73-L75 PolarHBondContact O-N 3.3Å; D73-V76 PolarHBondContact O-N 3.5Å; D73-Q77 WeakPolarHBondContact O-CB 3.35Å; D73-Q77 PolarHBondContact O-N 3.39Å
74E95.4Very high92.6Very high88 Ų8868 Ų6841%0.41135%0.346SS..Hα-helixtrans-62.9-40.5174.1-74.2170.4113.900112.1K70 S71 F72 A78K70-E74 HydrophobicContact CB-CB 4.1Å; K70-E74 HydrophobicContact CD-CB 4.28Å; K70-E74 IonicContact NZ-OE1 2.67Å; S71-E74 WeakPolarHBondContact CB-OE2 3.36Å; S71-E74 PolarHBondContact N-OE2 3.38Å; S71-E74 PolarHBondContact O-N 3.42Å; S71-E74 WeakPolarHBondContact OG-CB 3.21Å; S71-E74 WeakPolarHBondContact OG-CG 3.5Å; S71-E74 PolarHBondContact OG-N 3.41Å; S71-E74 PolarHBondContact OG-OE2 3.4Å; F72-E74 PolarHBondContact O-N 3.28Å; E74-A78 VanDerWaalsContact O-CB 3.22Å; E74-A78 WeakPolarHBondContact O-CB 3.5Å; E74-A78 PolarHBondContact O-N 3.49Å
75L94.6Very high91.8Very high0 Ų066 Ų660%033%0.333CS..Hα-helixtrans-64.5-45.7176.4-69.7164.1000110.9R43 L46 F47 V58 V62 P67 K70 S71 F72 D73 A78 I79R43-L75 HydrophobicContact CG-CD1 3.86Å; L46-L75 HydrophobicContact CD2-CB 3.96Å; L46-L75 HydrophobicContact CD2-CD1 4.12Å; F47-L75 HydrophobicContact CE1-CD1 4.49Å; F47-L75 HydrophobicContact CE2-CD1 4.09Å; F47-L75 HydrophobicContact CZ-CD1 3.66Å; F47-L75 HydrophobicContact CZ-CD2 4.27Å; V58-L75 HydrophobicContact CG1-CD2 3.55Å; V62-L75 HydrophobicContact CG1-CD2 3.97Å; P67-L75 HydrophobicContact CB-CD2 4.33Å; K70-L75 HydrophobicContact CB-CD2 3.92Å; K70-L75 HydrophobicContact CB-CG 3.81Å; S71-L75 WeakPolarHBondContact O-CD1 3.45Å; S71-L75 VanDerWaalsContact O-CG 3.24Å; S71-L75 WeakPolarHBondContact O-CG 3.33Å; S71-L75 PolarHBondContact O-N 2.85Å; F72-L75 WeakPolarHBondContact O-CB 3.3Å; F72-L75 PolarHBondContact O-N 2.97Å; D73-L75 VanDerWaalsContact C-N 3.35Å; D73-L75 PolarHBondContact O-N 3.3Å; L75-A78 PolarHBondContact O-N 3.06Å; L75-I79 VanDerWaalsContact O-CD1 3.31Å; L75-I79 WeakPolarHBondContact O-CD1 3.05Å; L75-I79 VanDerWaalsContact O-CG1 3.22Å; L75-I79 WeakPolarHBondContact O-CG1 3.45Å; L75-I79 PolarHBondContact O-N 3.49Å
76V94.5Very high90.5Very high24 Ų2468 Ų6815%0.14535%0.346CS..Hα-helixtrans-61.7-46.6178.4171.30000110.8W21 I25 F72 D73 I79 R80W21-V76 HydrophobicContact CZ2-CG1 4.36Å; W21-V76 HydrophobicContact CZ2-CG2 4.4Å; I25-V76 HydrophobicContact CD1-CG2 3.82Å; I25-V76 HydrophobicContact CG1-CG1 4.37Å; I25-V76 HydrophobicContact CG1-CG2 4.43Å; I25-V76 HydrophobicContact CG2-CG1 4.23Å; I25-V76 HydrophobicContact CG2-CG2 4.49Å; F72-V76 HydrophobicContact CD1-CG2 4.29Å; F72-V76 HydrophobicContact CD2-CG2 4.26Å; F72-V76 HydrophobicContact CE1-CG2 3.89Å; F72-V76 HydrophobicContact CE2-CG2 3.85Å; F72-V76 HydrophobicContact CG-CG2 4.47Å; F72-V76 HydrophobicContact CZ-CG2 3.66Å; F72-V76 WeakPolarHBondContact O-CG2 3.36Å; F72-V76 PolarHBondContact O-N 3.02Å; D73-V76 PolarHBondContact O-N 3.5Å; V76-I79 PolarHBondContact O-N 2.85Å; V76-R80 VanDerWaalsContact O-CB 3.27Å; V76-R80 WeakPolarHBondContact O-CB 3.4Å; V76-R80 PolarHBondContact O-N 3.03Å
77Q93.5Very high89.3Confident99 Ų9965.6 Ų65.646%0.46334%0.344SS..Hα-helixtrans-65.1-40178.6-175.655.247.400112.1D73 R80 T81D73-Q77 WeakPolarHBondContact O-CB 3.35Å; D73-Q77 PolarHBondContact O-N 3.39Å; Q77-R80 WeakPolarHBondContact O-CB 3.43Å; Q77-R80 PolarHBondContact O-N 3.2Å; Q77-T81 PolarHBondContact NE2-OG1 3.42Å; Q77-T81 PolarHBondContact O-N 2.73Å; Q77-T81 PolarHBondContact O-OG1 3.26Å
78A93.8Very high88.4Confident23 Ų2366 Ų6619%0.1935%0.35CS..Hα-helixtrans-63.1-43.3177.600000111.8A61 V62 E74 L75 T81 R82A61-A78 HydrophobicContact CB-CB 3.88Å; V62-A78 HydrophobicContact CG1-CB 4.01Å; E74-A78 VanDerWaalsContact O-CB 3.22Å; E74-A78 WeakPolarHBondContact O-CB 3.5Å; E74-A78 PolarHBondContact O-N 3.49Å; L75-A78 PolarHBondContact O-N 3.06Å; A78-T81 PolarHBondContact O-N 2.83Å; A78-R82 PolarHBondContact O-N 3Å
79I93.3Very high88.1Confident0 Ų062.7 Ų62.70%033%0.333CS..Hα-helixtrans-67.8-42.4176.2-62.9159000110.7W21 L54 L57 V58 L75 V76 T81 R82 F83W21-I79 HydrophobicContact CD2-CG2 3.77Å; W21-I79 HydrophobicContact CE3-CG2 3.94Å; W21-I79 HydrophobicContact CH2-CB 4.07Å; W21-I79 HydrophobicContact CH2-CD1 3.33Å; W21-I79 HydrophobicContact CH2-CG1 4.29Å; W21-I79 HydrophobicContact CH2-CG2 3.7Å; W21-I79 HydrophobicContact CZ2-CB 3.64Å; W21-I79 HydrophobicContact CZ2-CD1 3.59Å; W21-I79 HydrophobicContact CZ2-CG1 4.25Å; W21-I79 HydrophobicContact CZ2-CG2 3.52Å; W21-I79 HydrophobicContact CZ3-CD1 4.26Å; W21-I79 HydrophobicContact CZ3-CG2 3.91Å; L54-I79 HydrophobicContact CD1-CD1 4.42Å; L54-I79 HydrophobicContact CD1-CG2 4.38Å; L57-I79 HydrophobicContact CD2-CG2 4.04Å; V58-I79 HydrophobicContact CG2-CD1 3.61Å; V58-I79 HydrophobicContact CG2-CG1 4.08Å; L75-I79 VanDerWaalsContact O-CD1 3.31Å; L75-I79 WeakPolarHBondContact O-CD1 3.05Å; L75-I79 VanDerWaalsContact O-CG1 3.22Å; L75-I79 WeakPolarHBondContact O-CG1 3.45Å; L75-I79 PolarHBondContact O-N 3.49Å; V76-I79 PolarHBondContact O-N 2.85Å; I79-T81 VanDerWaalsContact C-N 3.31Å; I79-T81 PolarHBondContact O-N 2.86Å; I79-R82 WeakPolarHBondContact O-CA 3.35Å; I79-R82 WeakPolarHBondContact O-CB 3.47Å; I79-R82 PolarHBondContact O-N 2.95Å; I79-F83 HydrophobicContact CG2-CD2 3.81Å; I79-F83 HydrophobicContact CG2-CE2 3.39Å; I79-F83 HydrophobicContact CG2-CZ 4.43Å; I79-F83 WeakPolarHBondContact O-CD2 3.49Å; I79-F83 PolarHBondContact O-N 2.85Å; I79-F83 VanDerWaalsContact O-N 3.16Å
80R92Very high87.7Confident101 Ų10165.9 Ų65.938%0.38134%0.337SS..Hα-helixtrans-54.4-47.4175.1-172.9-173.6-178.5117.67.5111.4I18 E22 V76 Q77 R82 F83 D84I18-R80 HydrophobicContact CD1-CG 3.81Å; E22-R80 IonicContact OE1-CZ 2.65Å; E22-R80 IonicContact OE1-NE 3.69Å; E22-R80 IonicContact OE1-NH1 3.87Å; E22-R80 PolarHBondContact OE1-NH1 3.43Å; E22-R80 IonicContact OE1-NH2 3.79Å; E22-R80 IonicContact OE2-CZ 3.19Å; E22-R80 IonicContact OE2-NH1 2.93Å; E22-R80 PolarHBondContact OE2-NH1 3.45Å; E22-R80 IonicContact OE2-NH2 3.57Å; V76-R80 VanDerWaalsContact O-CB 3.27Å; V76-R80 WeakPolarHBondContact O-CB 3.4Å; V76-R80 PolarHBondContact O-N 3.03Å; Q77-R80 WeakPolarHBondContact O-CB 3.43Å; Q77-R80 PolarHBondContact O-N 3.2Å; R80-R82 PolarHBondContact O-N 3.19Å; R80-F83 PolarHBondContact O-N 3.03Å; R80-F83 VanDerWaalsContact O-N 3.13Å; R80-D84 PolarHBondContact O-N 2.94Å
81T89.9Confident87.3Confident62 Ų6268.3 Ų68.338%0.3836%0.356SS..Hα-helixtrans-65.7-19.3176.1-62.10000113.1Q77 A78 I79 D84 P85Q77-T81 PolarHBondContact NE2-OG1 3.42Å; Q77-T81 PolarHBondContact O-N 2.73Å; Q77-T81 PolarHBondContact O-OG1 3.26Å; A78-T81 PolarHBondContact O-N 2.83Å; I79-T81 VanDerWaalsContact C-N 3.31Å; I79-T81 PolarHBondContact O-N 2.86Å; T81-D84 CarbonylContact O-C 3.51Å; T81-P85 WeakPolarHBondContact O-CA 3.39Å
82R90.6Very high86.9Confident138 Ų13866.2 Ų66.252%0.52134%0.342SS..Hα-helixtrans-77.2-36.9170.4-66.9-59.5-171.5-167.6-3.1112.7L57 E60 A61 A78 I79 R80L57-R82 HydrophobicContact CD1-CB 3.87Å; L57-R82 HydrophobicContact CD1-CG 3.91Å; E60-R82 PolarHBondContact O-NH2 3.44Å; A61-R82 HydrophobicContact CB-CG 3.77Å; A78-R82 PolarHBondContact O-N 3Å; I79-R82 WeakPolarHBondContact O-CA 3.35Å; I79-R82 WeakPolarHBondContact O-CB 3.47Å; I79-R82 PolarHBondContact O-N 2.95Å; R80-R82 PolarHBondContact O-N 3.19Å
83F87.9Confident86.7Confident50 Ų5066.7 Ų66.722%0.21934%0.343CS..Hα-helixtrans-77.4-30.6176.5-69.8-60.2000113.1F12 L14 I18 W21 L57 I79 R80F12-F83 AromaticContact CE1-CE2 3.82Å; F12-F83 HydrophobicContact CE1-CE2 3.82Å; F12-F83 AromaticContact CE1-CZ 3.59Å; F12-F83 HydrophobicContact CE1-CZ 3.59Å; F12-F83 HydrophobicContact CZ-CE2 4.24Å; F12-F83 HydrophobicContact CZ-CZ 4.12Å; L14-F83 HydrophobicContact CD2-CZ 3.83Å; I18-F83 HydrophobicContact CB-CB 3.83Å; I18-F83 HydrophobicContact CD1-CB 3.99Å; I18-F83 HydrophobicContact CG1-CB 4.48Å; W21-F83 HydrophobicContact CB-CD2 3.89Å; W21-F83 HydrophobicContact CB-CE2 4.02Å; W21-F83 HydrophobicContact CD2-CD2 4.31Å; W21-F83 HydrophobicContact CD2-CE2 4.03Å; W21-F83 HydrophobicContact CE3-CE2 4.12Å; W21-F83 AromaticContact CG-CD2 3.87Å; W21-F83 HydrophobicContact CG-CD2 3.87Å; W21-F83 AromaticContact CG-CE2 3.99Å; W21-F83 HydrophobicContact CG-CE2 3.99Å; L57-F83 HydrophobicContact CD2-CE1 4.25Å; L57-F83 HydrophobicContact CD2-CE2 3.88Å; L57-F83 HydrophobicContact CD2-CZ 3.53Å; I79-F83 HydrophobicContact CG2-CD2 3.81Å; I79-F83 HydrophobicContact CG2-CE2 3.39Å; I79-F83 HydrophobicContact CG2-CZ 4.43Å; I79-F83 WeakPolarHBondContact O-CD2 3.49Å; I79-F83 PolarHBondContact O-N 2.85Å; I79-F83 VanDerWaalsContact O-N 3.16Å; R80-F83 PolarHBondContact O-N 3.03Å; R80-F83 VanDerWaalsContact O-N 3.13Å
84D81.5Confident86.6Confident32 Ų3263.9 Ų63.917%0.17134%0.336CS..  trans-134.378178.5-159.6-1.8000109.7I18 R80 T81 I86 P87 R120I18-D84 HydrophobicContact CD1-CB 4.34Å; I18-D84 HydrophobicContact CG1-CB 4.26Å; R80-D84 PolarHBondContact O-N 2.94Å; T81-D84 CarbonylContact O-C 3.51Å; D84-I86 VanDerWaalsContact C-N 3.25Å; D84-I86 PolarHBondContact O-N 3.43Å; D84-P87 VanDerWaalsContact O-CD 3.24Å; D84-P87 WeakPolarHBondContact O-CD 3.34Å; D84-P87 VanDerWaalsContact O-CG 3.29Å; D84-P87 WeakPolarHBondContact O-CG 3.42Å; D84-R120 IonicContact OD1-NH2 3.29Å; D84-R120 IonicContact OD2-CZ 2.88Å; D84-R120 IonicContact OD2-NH2 2.76Å; D84-R120 PolarHBondContact OD2-NH2 2.65Å
85P77.1Confident86.4Confident93 Ų9363.9 Ų63.960%0.60434%0.336SS*.SBendtrans-69.2-23-173.626.5-34.8000113.7T81T81-P85 WeakPolarHBondContact O-CA 3.39Å
86I69.8Low86.4Confident142 Ų14263.9 Ų63.973%0.72834%0.336SS*.SBendtrans-128.480.6173.3-52.6175.3000106.5D84 G88D84-I86 VanDerWaalsContact C-N 3.25Å; D84-I86 PolarHBondContact O-N 3.43Å; I86-G88 VanDerWaalsContact C-N 3.31Å; I86-G88 PolarHBondContact O-N 3.38Å
87P68.8Low86.5Confident88 Ų8867.9 Ų67.957%0.57135%0.349SS*.  trans-58.698.1175.8-22.533.9000109.2D84D84-P87 VanDerWaalsContact O-CD 3.24Å; D84-P87 WeakPolarHBondContact O-CD 3.34Å; D84-P87 VanDerWaalsContact O-CG 3.29Å; D84-P87 WeakPolarHBondContact O-CG 3.42Å
88G72.5Confident86.6Confident19 Ų1967 Ų6720%0.19635%0.354CS..  trans-111.5105.4-17000000109.8I86 Y90 P91 A92I86-G88 VanDerWaalsContact C-N 3.31Å; I86-G88 PolarHBondContact O-N 3.38Å; G88-Y90 PolarHBondContact O-N 3.22Å; G88-Y90 VanDerWaalsContact O-N 3.14Å; G88-P91 VanDerWaalsContact O-CD 3.29Å; G88-P91 WeakPolarHBondContact O-CD 3.12Å; G88-A92 PolarHBondContact O-N 2.98Å; G88-A92 VanDerWaalsContact O-N 3.08Å
89V82.9Confident86.7Confident32 Ų3267.7 Ų67.719%0.19435%0.352CS..Hα-helixtrans-53-35.5170.7174.70000111.1R93 C121 Q122V89-R93 HydrophobicContact CG1-CG 4.43Å; V89-R93 VanDerWaalsContact CG1-CZ 3.49Å; V89-R93 VanDerWaalsContact CG1-NE 3.27Å; V89-R93 VanDerWaalsContact O-CB 3.31Å; V89-R93 WeakPolarHBondContact O-CB 3.07Å; V89-R93 WeakPolarHBondContact O-CD 3.37Å; V89-R93 WeakPolarHBondContact O-CG 3.23Å; V89-R93 PolarHBondContact O-N 2.89Å; V89-C121 WeakPolarHBondContact CG1-O 3.35Å; V89-Q122 HydrophobicContact CG2-CB 4.15Å; V89-Q122 VanDerWaalsContact CG2-CD 3.45Å; V89-Q122 HydrophobicContact CG2-CG 4.04Å
90Y85.4Confident87Confident153 Ų15371.8 Ų71.860%0.637%0.37SS*.Hα-helixtrans-73.5-49.9-179.6-64-69.8000113.8G88 A92 R93 A94 R391G88-Y90 PolarHBondContact O-N 3.22Å; G88-Y90 VanDerWaalsContact O-N 3.14Å; Y90-A92 VanDerWaalsContact C-N 3.34Å; Y90-A92 PolarHBondContact O-N 3.19Å; Y90-R93 PolarHBondContact O-N 3.26Å; Y90-A94 WeakPolarHBondContact O-CB 3.36Å; Y90-A94 PolarHBondContact O-N 2.86Å; Y90-R391 PolarHBondContact OH-NH1 2.97Å; Y90-R391 VanDerWaalsContact OH-NH1 3.1Å
91P86.5Confident87.3Confident86 Ų8667.9 Ų67.956%0.55836%0.356SS*.Hα-helixtrans-50.3-48.8168.2-30.832.4000113.8G88 R93 A94 E95G88-P91 VanDerWaalsContact O-CD 3.29Å; G88-P91 WeakPolarHBondContact O-CD 3.12Å; P91-R93 VanDerWaalsContact C-N 3.34Å; P91-R93 PolarHBondContact O-N 3.5Å; P91-A94 WeakPolarHBondContact O-CB 3.19Å; P91-A94 PolarHBondContact O-N 3.18Å; P91-A94 VanDerWaalsContact O-N 3.14Å; P91-E95 PolarHBondContact O-N 3.34Å
92A86.9Confident87.6Confident7 Ų769.7 Ų69.76%0.05836%0.363CS..Hα-helixtrans-60.5-43.2178.400000112G88 Y90 E95 F96 R120 C121G88-A92 PolarHBondContact O-N 2.98Å; G88-A92 VanDerWaalsContact O-N 3.08Å; Y90-A92 VanDerWaalsContact C-N 3.34Å; Y90-A92 PolarHBondContact O-N 3.19Å; A92-E95 PolarHBondContact O-N 2.93Å; A92-F96 WeakPolarHBondContact O-CB 3.43Å; A92-F96 PolarHBondContact O-N 3.04Å; A92-R120 HydrophobicContact CB-CB 3.79Å; A92-R120 WeakPolarHBondContact CB-O 3.48Å; A92-C121 VanDerWaalsContact C-SG 3.53Å; A92-C121 PolarHBondContact O-SG 2.84Å; A92-C121 VanDerWaalsContact O-SG 3.37Å
93R90.4Very high87.9Confident45 Ų4569.5 Ų69.517%0.1738%0.379CS..Hα-helixtrans-64.9-38174.9-75.4174.8-175.7-171.35112.6V89 Y90 P91 F96 Y97 C121 Q122 F123V89-R93 HydrophobicContact CG1-CG 4.43Å; V89-R93 VanDerWaalsContact CG1-CZ 3.49Å; V89-R93 VanDerWaalsContact CG1-NE 3.27Å; V89-R93 VanDerWaalsContact O-CB 3.31Å; V89-R93 WeakPolarHBondContact O-CB 3.07Å; V89-R93 WeakPolarHBondContact O-CD 3.37Å; V89-R93 WeakPolarHBondContact O-CG 3.23Å; V89-R93 PolarHBondContact O-N 2.89Å; Y90-R93 PolarHBondContact O-N 3.26Å; P91-R93 VanDerWaalsContact C-N 3.34Å; P91-R93 PolarHBondContact O-N 3.5Å; R93-F96 PolarHBondContact O-N 2.98Å; R93-Y97 HydrophobicContact CB-CD2 4.25Å; R93-Y97 HydrophobicContact CB-CE2 4.16Å; R93-Y97 WeakPolarHBondContact O-CB 3.49Å; R93-Y97 WeakPolarHBondContact O-CD2 3.42Å; R93-Y97 PolarHBondContact O-N 3.3Å; R93-C121 HydrophobicContact CG-CB 3.74Å; R93-C121 PolarHBondContact NE-O 3.4Å; R93-C121 PolarHBondContact NH2-O 2.93Å; R93-C121 VanDerWaalsContact NH2-O 3.17Å; R93-Q122 PolarHBondContact NH2-O 3.31Å; R93-Q122 VanDerWaalsContact NH2-O 3.11Å; R93-F123 HydrophobicContact CG-CE1 3.85Å; R93-F123 HydrophobicContact CG-CZ 4.23Å
94A91.3Very high88.2Confident60 Ų6071.4 Ų71.450%0.49641%0.413SS..Hα-helixtrans-64.5-43.8176.400000111.1Y90 P91 Y97 S98Y90-A94 WeakPolarHBondContact O-CB 3.36Å; Y90-A94 PolarHBondContact O-N 2.86Å; P91-A94 WeakPolarHBondContact O-CB 3.19Å; P91-A94 PolarHBondContact O-N 3.18Å; P91-A94 VanDerWaalsContact O-N 3.14Å; A94-Y97 PolarHBondContact O-N 3.2Å; A94-S98 VanDerWaalsContact O-CB 3.24Å; A94-S98 WeakPolarHBondContact O-CB 3.41Å; A94-S98 PolarHBondContact O-N 3.28Å; A94-S98 PolarHBondContact O-OG 2.96Å
95E91.5Very high88.9Confident87 Ų8771 Ų7141%0.40741%0.41SS..Hα-helixtrans-59.1-47.2173.2-167.6-179.9176.600111.2P91 A92 S98 R99 L117P91-E95 PolarHBondContact O-N 3.34Å; A92-E95 PolarHBondContact O-N 2.93Å; E95-S98 WeakPolarHBondContact CA-OG 3.15Å; E95-S98 PolarHBondContact O-N 3.37Å; E95-S98 PolarHBondContact O-OG 3.17Å; E95-R99 PolarHBondContact O-N 3.48Å; E95-L117 HydrophobicContact CB-CD2 4.5Å; E95-L117 HydrophobicContact CG-CD1 4.31Å; E95-L117 HydrophobicContact CG-CD2 3.73Å; E95-L117 VanDerWaalsContact OE1-CD2 3.27Å; E95-L117 WeakPolarHBondContact OE1-CD2 3.47Å
96F94.7Very high89.9Confident0 Ų068.5 Ų68.50%040%0.395CS..Hα-helixtrans-57.4-53.2175.2177-94000112.9A92 R93 S98 R99 L114 L117 A118 C121 F123 Q136 L137 Q140A92-F96 WeakPolarHBondContact O-CB 3.43Å; A92-F96 PolarHBondContact O-N 3.04Å; R93-F96 PolarHBondContact O-N 2.98Å; F96-S98 VanDerWaalsContact C-N 3.32Å; F96-S98 PolarHBondContact O-N 3.01Å; F96-R99 WeakPolarHBondContact O-CB 3.39Å; F96-R99 PolarHBondContact O-N 3Å; F96-L114 HydrophobicContact CD2-CD2 4.45Å; F96-L114 HydrophobicContact CE2-CB 4.39Å; F96-L114 HydrophobicContact CE2-CD2 4.22Å; F96-L117 HydrophobicContact CB-CB 4.25Å; F96-L117 HydrophobicContact CD2-CB 3.98Å; F96-A118 HydrophobicContact CD2-CB 4.1Å; F96-A118 HydrophobicContact CE2-CB 3.84Å; F96-C121 VanDerWaalsContact CB-SG 3.55Å; F96-F123 HydrophobicContact CD1-CE2 4.07Å; F96-F123 AromaticContact CD1-CZ 3.67Å; F96-F123 HydrophobicContact CD1-CZ 3.67Å; F96-F123 HydrophobicContact CD2-CE2 4.31Å; F96-F123 HydrophobicContact CE1-CE2 4.03Å; F96-F123 AromaticContact CE1-CZ 3.86Å; F96-F123 HydrophobicContact CE1-CZ 3.86Å; F96-F123 HydrophobicContact CE2-CE2 4.27Å; F96-F123 HydrophobicContact CG-CE2 4.21Å; F96-F123 HydrophobicContact CG-CZ 4.09Å; F96-F123 HydrophobicContact CZ-CE2 4.13Å; F96-F123 HydrophobicContact CZ-CZ 4.42Å; F96-Q136 HydrophobicContact CE1-CB 4.13Å; F96-Q136 HydrophobicContact CZ-CB 4.22Å; F96-Q136 WeakPolarHBondContact CZ-O 3.45Å; F96-L137 HydrophobicContact CE2-CD2 3.84Å; F96-L137 HydrophobicContact CZ-CD2 4.25Å; F96-Q140 HydrophobicContact CD1-CB 4.45Å; F96-Q140 HydrophobicContact CD1-CG 4.4Å; F96-Q140 HydrophobicContact CE1-CB 3.59Å; F96-Q140 HydrophobicContact CE1-CG 3.99Å; F96-Q140 HydrophobicContact CE2-CB 4.46Å; F96-Q140 HydrophobicContact CZ-CB 3.6Å; F96-Q140 HydrophobicContact CZ-CG 4.1Å; F96-Q140 WeakPolarHBondContact O-CG 3.38Å; F96-Q140 PolarHBondContact O-NE2 3.2Å
97Y95.6Very high91.2Very high108 Ų10862 Ų6242%0.42436%0.361SS..Hα-helixtrans-73.3-21.3-176.2-69.6-57000113.7R93 A94 F123 Q136 Q140R93-Y97 HydrophobicContact CB-CD2 4.25Å; R93-Y97 HydrophobicContact CB-CE2 4.16Å; R93-Y97 WeakPolarHBondContact O-CB 3.49Å; R93-Y97 WeakPolarHBondContact O-CD2 3.42Å; R93-Y97 PolarHBondContact O-N 3.3Å; A94-Y97 PolarHBondContact O-N 3.2Å; Y97-F123 HydrophobicContact CE2-CE1 4.4Å; Y97-F123 HydrophobicContact CE2-CZ 4.48Å; Y97-Q136 WeakPolarHBondContact OH-CG 3.46Å; Y97-Q140 VanDerWaalsContact C-NE2 3.34Å; Y97-Q140 PolarHBondContact O-NE2 3.15Å; Y97-Q140 PolarHBondContact O-OE1 2.99Å
98S96.2Very high92.5Very high82 Ų8259.7 Ų59.757%0.57335%0.35SS*.Hα-helixtrans-78.9-20172.864.30000113.3A94 E95 F96 K100A94-S98 VanDerWaalsContact O-CB 3.24Å; A94-S98 WeakPolarHBondContact O-CB 3.41Å; A94-S98 PolarHBondContact O-N 3.28Å; A94-S98 PolarHBondContact O-OG 2.96Å; E95-S98 WeakPolarHBondContact CA-OG 3.15Å; E95-S98 PolarHBondContact O-N 3.37Å; E95-S98 PolarHBondContact O-OG 3.17Å; F96-S98 VanDerWaalsContact C-N 3.32Å; F96-S98 PolarHBondContact O-N 3.01Å; S98-K100 PolarHBondContact O-N 2.93Å
99R97.2Very high93.7Very high36 Ų3662.1 Ų62.114%0.13636%0.361CS..  trans-67.5118.8-173.8-171.451.2169.482.82.8112.7E95 F96 E105 F110 N113 L114 L117 Q140E95-R99 PolarHBondContact O-N 3.48Å; F96-R99 WeakPolarHBondContact O-CB 3.39Å; F96-R99 PolarHBondContact O-N 3Å; R99-E105 IonicContact CZ-OE1 3.84Å; R99-E105 IonicContact CZ-OE2 2.72Å; R99-E105 VanDerWaalsContact CZ-OE2 3.29Å; R99-E105 IonicContact NH1-OE1 3.92Å; R99-E105 IonicContact NH1-OE2 3.46Å; R99-E105 PolarHBondContact NH1-OE2 3.45Å; R99-E105 IonicContact NH2-OE1 3.67Å; R99-E105 PolarHBondContact NH2-OE1 2.87Å; R99-E105 IonicContact NH2-OE2 2.66Å; R99-E105 PolarHBondContact NH2-OE2 3.07Å; R99-F110 HydrophobicContact CG-CE2 4.12Å; R99-N113 PolarHBondContact NH2-ND2 2.87Å; R99-L114 HydrophobicContact CB-CD2 3.9Å; R99-L114 HydrophobicContact CG-CD2 3.88Å; R99-L117 HydrophobicContact CB-CD1 3.89Å; R99-L117 HydrophobicContact CG-CD1 3.94Å; R99-Q140 PolarHBondContact O-NE2 2.72Å
100K98.1Very high94.4Very high87 Ų8760.6 Ų60.638%0.37835%0.352SS..  trans-119.1144.4172.2-54-60.5169.4-157.20109.7S98 L102 I143S98-K100 PolarHBondContact O-N 2.93Å; K100-L102 PolarHBondContact O-N 3.06Å; K100-I143 VanDerWaalsContact NZ-CG2 3.28Å
101Q98.2Very high95Very high19 Ų1953.3 Ų53.39%0.08932%0.324CS..PPolyproline II helixtrans-52.5123.9178-173.7171.45.100109.9E105 F110 G144 S146Q101-E105 HydrophobicContact CG-CB 4.29Å; Q101-E105 PolarHBondContact NE2-O 2.78Å; Q101-F110 HydrophobicContact CB-CB 4.37Å; Q101-F110 HydrophobicContact CB-CD1 3.7Å; Q101-F110 HydrophobicContact CB-CD2 4.09Å; Q101-F110 HydrophobicContact CB-CE1 3.96Å; Q101-F110 HydrophobicContact CB-CE2 4.31Å; Q101-F110 HydrophobicContact CB-CG 3.78Å; Q101-F110 HydrophobicContact CB-CZ 4.26Å; Q101-F110 HydrophobicContact CG-CB 4.01Å; Q101-F110 HydrophobicContact CG-CD1 4.06Å; Q101-F110 HydrophobicContact CG-CG 3.98Å; Q101-G144 WeakPolarHBondContact CB-O 3.46Å; Q101-G144 PolarHBondContact N-O 3.22Å; Q101-S146 VanDerWaalsContact CD-OG 3.23Å; Q101-S146 PolarHBondContact OE1-OG 3.09Å; Q101-S146 VanDerWaalsContact OE1-OG 3.06Å
102L97.5Very high95.3Very high100 Ų10051.8 Ų51.852%0.52432%0.318SS..PPolyproline II helixtrans-73.4155-177.4-62.7175.1000110.4K100 G104 E105K100-L102 PolarHBondContact O-N 3.06Å; L102-G104 PolarHBondContact O-N 2.9Å; L102-E105 HydrophobicContact CB-CB 3.95Å; L102-E105 PolarHBondContact N-OE2 3.42Å; L102-E105 WeakPolarHBondContact O-CB 3.46Å; L102-E105 PolarHBondContact O-N 3.08Å
103P95.7Very high95.7Very high133 Ų13353.3 Ų53.386%0.86433%0.325SS*.THydrogen-bonded Turntrans-55.7124.3171.7-23.834.3000111.1E105P103-E105 VanDerWaalsContact C-N 3.25Å; P103-E105 PolarHBondContact O-N 3.11Å
104G94Very high95.9Very high91 Ų9151.1 Ų51.194%0.93832%0.317SS*.THydrogen-bonded Turntrans77.8-2-178.600000115.6L102L102-G104 PolarHBondContact O-N 2.9Å
105E97.4Very high96Very high24 Ų2454.4 Ų54.411%0.11232%0.316CS..  trans-73.8131172.1177.2178.9-145.100110.5R99 Q101 L102 P103 T109 F110 N113R99-E105 IonicContact CZ-OE1 3.84Å; R99-E105 IonicContact CZ-OE2 2.72Å; R99-E105 VanDerWaalsContact CZ-OE2 3.29Å; R99-E105 IonicContact NH1-OE1 3.92Å; R99-E105 IonicContact NH1-OE2 3.46Å; R99-E105 PolarHBondContact NH1-OE2 3.45Å; R99-E105 IonicContact NH2-OE1 3.67Å; R99-E105 PolarHBondContact NH2-OE1 2.87Å; R99-E105 IonicContact NH2-OE2 2.66Å; R99-E105 PolarHBondContact NH2-OE2 3.07Å; Q101-E105 HydrophobicContact CG-CB 4.29Å; Q101-E105 PolarHBondContact NE2-O 2.78Å; L102-E105 HydrophobicContact CB-CB 3.95Å; L102-E105 PolarHBondContact N-OE2 3.42Å; L102-E105 WeakPolarHBondContact O-CB 3.46Å; L102-E105 PolarHBondContact O-N 3.08Å; P103-E105 VanDerWaalsContact C-N 3.25Å; P103-E105 PolarHBondContact O-N 3.11Å; E105-T109 HydrophobicContact CG-CG2 4.01Å; E105-F110 HydrophobicContact CG-CB 4.16Å; E105-F110 WeakPolarHBondContact OE1-CA 3.43Å; E105-F110 PolarHBondContact OE1-N 2.92Å; E105-N113 PolarHBondContact OE1-ND2 3.33Å
106S96.9Very high95.8Very high39 Ų3955.7 Ų55.727%0.27332%0.317SS..  trans-70.1155176.470.30000112.4A108 T109 F110 E173S106-A108 PolarHBondContact O-N 2.9Å; S106-T109 PolarHBondContact O-N 3.25Å; S106-T109 WeakPolarHBondContact OG-CB 3.35Å; S106-T109 PolarHBondContact OG-N 3.5Å; S106-T109 PolarHBondContact OG-OG1 3.04Å; S106-F110 PolarHBondContact O-N 3.36Å; S106-E173 WeakPolarHBondContact CA-OE2 3.27Å; S106-E173 WeakPolarHBondContact CB-OE2 3.41Å
107V97.7Very high95.6Very high5 Ų556 Ų563%0.0332%0.319CS..Hα-helixtrans-54.6-41.7176167.60000111.7F110 M111 F141 Y166 A169 L170 E173V107-F110 PolarHBondContact O-N 3.2Å; V107-M111 WeakPolarHBondContact O-CB 3.14Å; V107-M111 PolarHBondContact O-N 2.88Å; V107-F141 HydrophobicContact CG1-CE2 4.17Å; V107-F141 HydrophobicContact CG1-CZ 3.72Å; V107-Y166 HydrophobicContact CG1-CD2 4.1Å; V107-Y166 HydrophobicContact CG1-CE2 3.87Å; V107-A169 HydrophobicContact CG1-CB 3.67Å; V107-A169 HydrophobicContact CG2-CB 4.13Å; V107-L170 HydrophobicContact CB-CD2 4.13Å; V107-L170 HydrophobicContact CG1-CD2 3.94Å; V107-L170 HydrophobicContact CG1-CG 4.2Å; V107-E173 HydrophobicContact CG2-CB 3.96Å; V107-E173 HydrophobicContact CG2-CG 4.47Å; V107-E173 PolarHBondContact N-OE2 3.03Å
108A96.9Very high95.3Very high40 Ų4050.9 Ų50.933%0.33130%0.3SS..Hα-helixtrans-64.2-46178.800000112.2S106 M111 A112 Y166S106-A108 PolarHBondContact O-N 2.9Å; A108-M111 PolarHBondContact O-N 3.29Å; A108-A112 WeakPolarHBondContact O-CB 3.25Å; A108-A112 PolarHBondContact O-N 2.94Å; A108-Y166 WeakPolarHBondContact CA-OH 3.48Å; A108-Y166 WeakPolarHBondContact CB-OH 3.49Å
109T96.7Very high94.6Very high71 Ų7149.9 Ų49.944%0.43630%0.302SS..Hα-helixtrans-65.5-41178.2-59.50000111.2E105 S106 A112 N113E105-T109 HydrophobicContact CG-CG2 4.01Å; S106-T109 PolarHBondContact O-N 3.25Å; S106-T109 WeakPolarHBondContact OG-CB 3.35Å; S106-T109 PolarHBondContact OG-N 3.5Å; S106-T109 PolarHBondContact OG-OG1 3.04Å; T109-A112 PolarHBondContact O-N 3.43Å; T109-N113 WeakPolarHBondContact O-CB 3.37Å; T109-N113 PolarHBondContact O-N 2.8Å; T109-N113 PolarHBondContact O-ND2 3.45Å
110F98.2Very high93.8Very high0 Ų052 Ų520%031%0.31CS..Hα-helixtrans-61.2-47.8176175.8-135.3000112R99 Q101 E105 S106 V107 A112 N113 L114 F141 M145R99-F110 HydrophobicContact CG-CE2 4.12Å; Q101-F110 HydrophobicContact CB-CB 4.37Å; Q101-F110 HydrophobicContact CB-CD1 3.7Å; Q101-F110 HydrophobicContact CB-CD2 4.09Å; Q101-F110 HydrophobicContact CB-CE1 3.96Å; Q101-F110 HydrophobicContact CB-CE2 4.31Å; Q101-F110 HydrophobicContact CB-CG 3.78Å; Q101-F110 HydrophobicContact CB-CZ 4.26Å; Q101-F110 HydrophobicContact CG-CB 4.01Å; Q101-F110 HydrophobicContact CG-CD1 4.06Å; Q101-F110 HydrophobicContact CG-CG 3.98Å; E105-F110 HydrophobicContact CG-CB 4.16Å; E105-F110 WeakPolarHBondContact OE1-CA 3.43Å; E105-F110 PolarHBondContact OE1-N 2.92Å; S106-F110 PolarHBondContact O-N 3.36Å; V107-F110 PolarHBondContact O-N 3.2Å; F110-A112 PolarHBondContact O-N 2.79Å; F110-N113 PolarHBondContact O-N 2.88Å; F110-L114 HydrophobicContact CD2-CD1 4.36Å; F110-L114 HydrophobicContact CD2-CG 4.16Å; F110-L114 HydrophobicContact CE1-CD1 4.07Å; F110-L114 HydrophobicContact CE2-CD1 3.76Å; F110-L114 HydrophobicContact CE2-CD2 3.98Å; F110-L114 HydrophobicContact CE2-CG 3.72Å; F110-L114 HydrophobicContact CZ-CD1 3.59Å; F110-L114 HydrophobicContact CZ-CD2 4.4Å; F110-L114 HydrophobicContact CZ-CG 4.1Å; F110-L114 PolarHBondContact O-N 3.11Å; F110-F141 AromaticContact CD1-CD2 3.57Å; F110-F141 HydrophobicContact CD1-CD2 3.57Å; F110-F141 AromaticContact CD1-CE2 3.63Å; F110-F141 HydrophobicContact CD1-CE2 3.63Å; F110-F141 AromaticContact CE1-CD2 3.51Å; F110-F141 HydrophobicContact CE1-CD2 3.51Å; F110-F141 HydrophobicContact CE1-CE2 4.01Å; F110-F141 HydrophobicContact CE1-CG 4.33Å; F110-F141 HydrophobicContact CZ-CD2 4.44Å; F110-M145 HydrophobicContact CE1-CB 4.35Å
111M97.1Very high93.2Very high0 Ų047.8 Ų47.80%029%0.292CS..Hα-helixtrans-62.4-41.4176.4178.959.479.100112V107 A108 N113 L114 R115 F141 I162 Y166V107-M111 WeakPolarHBondContact O-CB 3.14Å; V107-M111 PolarHBondContact O-N 2.88Å; A108-M111 PolarHBondContact O-N 3.29Å; M111-N113 VanDerWaalsContact C-N 3.35Å; M111-N113 PolarHBondContact O-N 3Å; M111-L114 PolarHBondContact O-N 3.33Å; M111-R115 WeakPolarHBondContact O-CG 3.22Å; M111-R115 PolarHBondContact O-N 3.49Å; M111-R115 HydrophobicContact SD-CG 4.46Å; M111-F141 HydrophobicContact CB-CD2 4.35Å; M111-F141 HydrophobicContact CB-CE2 4.01Å; M111-F141 HydrophobicContact CE-CB 4.03Å; M111-F141 HydrophobicContact CE-CD1 3.73Å; M111-F141 HydrophobicContact CE-CD2 3.53Å; M111-F141 HydrophobicContact CE-CE1 3.98Å; M111-F141 HydrophobicContact CE-CE2 3.79Å; M111-F141 HydrophobicContact CE-CG 3.49Å; M111-F141 VanDerWaalsContact CE-CG 3.49Å; M111-F141 HydrophobicContact CE-CZ 3.99Å; M111-F141 HydrophobicContact SD-CD2 4.36Å; M111-I162 HydrophobicContact CE-CD1 4.14Å; M111-I162 HydrophobicContact CE-CG1 4.08Å; M111-I162 HydrophobicContact SD-CD1 4.44Å; M111-Y166 HydrophobicContact CB-CD2 4Å; M111-Y166 HydrophobicContact CB-CE2 3.7Å; M111-Y166 HydrophobicContact CE-CD2 3.91Å; M111-Y166 HydrophobicContact CE-CG 4.47Å; M111-Y166 HydrophobicContact CG-CD2 3.95Å; M111-Y166 HydrophobicContact CG-CE2 3.94Å
112A93.8Very high92.4Very high53 Ų5352.1 Ų52.144%0.43831%0.312SS..Hα-helixtrans-60.9-43.717600000111.8A108 T109 F110 R115 R116A108-A112 WeakPolarHBondContact O-CB 3.25Å; A108-A112 PolarHBondContact O-N 2.94Å; T109-A112 PolarHBondContact O-N 3.43Å; F110-A112 PolarHBondContact O-N 2.79Å; A112-R115 PolarHBondContact O-N 3.42Å; A112-R116 PolarHBondContact O-N 3.24Å
113N94.6Very high91.5Very high39 Ų3947.9 Ų47.921%0.20929%0.289CS..Hα-helixtrans-62.9-42.8175.7-81.3-42000112.6R99 E105 T109 F110 M111 R115 R116 L117R99-N113 PolarHBondContact NH2-ND2 2.87Å; E105-N113 PolarHBondContact OE1-ND2 3.33Å; T109-N113 WeakPolarHBondContact O-CB 3.37Å; T109-N113 PolarHBondContact O-N 2.8Å; T109-N113 PolarHBondContact O-ND2 3.45Å; F110-N113 PolarHBondContact O-N 2.88Å; M111-N113 VanDerWaalsContact C-N 3.35Å; M111-N113 PolarHBondContact O-N 3Å; N113-R115 PolarHBondContact O-N 3.4Å; N113-R116 PolarHBondContact O-N 2.97Å; N113-L117 WeakPolarHBondContact O-CG 2.99Å; N113-L117 PolarHBondContact O-N 3.26Å
114L95.5Very high90.2Very high0 Ų048.3 Ų48.30%028%0.279CS..Hα-helixtrans-61.6-42.9175.3-73.8-179.7000112.1F96 R99 F110 M111 L117 A118 L137 Q140 F141F96-L114 HydrophobicContact CD2-CD2 4.45Å; F96-L114 HydrophobicContact CE2-CB 4.39Å; F96-L114 HydrophobicContact CE2-CD2 4.22Å; R99-L114 HydrophobicContact CB-CD2 3.9Å; R99-L114 HydrophobicContact CG-CD2 3.88Å; F110-L114 HydrophobicContact CD2-CD1 4.36Å; F110-L114 HydrophobicContact CD2-CG 4.16Å; F110-L114 HydrophobicContact CE1-CD1 4.07Å; F110-L114 HydrophobicContact CE2-CD1 3.76Å; F110-L114 HydrophobicContact CE2-CD2 3.98Å; F110-L114 HydrophobicContact CE2-CG 3.72Å; F110-L114 HydrophobicContact CZ-CD1 3.59Å; F110-L114 HydrophobicContact CZ-CD2 4.4Å; F110-L114 HydrophobicContact CZ-CG 4.1Å; F110-L114 PolarHBondContact O-N 3.11Å; M111-L114 PolarHBondContact O-N 3.33Å; L114-L117 PolarHBondContact O-N 2.94Å; L114-A118 WeakPolarHBondContact O-CB 3.46Å; L114-A118 PolarHBondContact O-N 3.48Å; L114-L137 HydrophobicContact CB-CD2 3.83Å; L114-Q140 HydrophobicContact CD1-CG 4.41Å; L114-Q140 HydrophobicContact CD2-CB 4.44Å; L114-Q140 HydrophobicContact CD2-CG 3.65Å; L114-F141 HydrophobicContact CD1-CB 3.75Å; L114-F141 HydrophobicContact CD1-CD2 4.01Å; L114-F141 HydrophobicContact CD1-CG 4.39Å
115R92.4Very high88.6Confident129 Ų12947.5 Ų47.549%0.48726%0.264SS..Hα-helixtrans-60.4-44.3175.8-74.9-176.7179.2129.91.9112M111 A112 N113 L117 A118 G119 L137M111-R115 WeakPolarHBondContact O-CG 3.22Å; M111-R115 PolarHBondContact O-N 3.49Å; M111-R115 HydrophobicContact SD-CG 4.46Å; A112-R115 PolarHBondContact O-N 3.42Å; N113-R115 PolarHBondContact O-N 3.4Å; R115-L117 PolarHBondContact O-N 2.92Å; R115-A118 PolarHBondContact O-N 3.29Å; R115-G119 PolarHBondContact O-N 2.9Å; R115-L137 HydrophobicContact CG-CD1 3.99Å; R115-L137 HydrophobicContact CG-CD2 4.11Å
116R88Confident86.5Confident113 Ų11347.7 Ų47.743%0.42627%0.27SS..Hα-helixtrans-57.4-49.3175.4-175.8178.959.878.43111.5D19 A112 N113 A118 G119D19-R116 IonicContact OD2-CZ 2.84Å; D19-R116 IonicContact OD2-NH1 3.76Å; D19-R116 PolarHBondContact OD2-NH1 2.87Å; A112-R116 PolarHBondContact O-N 3.24Å; N113-R116 PolarHBondContact O-N 2.97Å; R116-A118 VanDerWaalsContact C-N 3.34Å; R116-A118 PolarHBondContact O-N 2.83Å; R116-G119 PolarHBondContact O-N 3.28Å
117L90Very high84.2Confident6 Ų652.3 Ų52.33%0.03130%0.299CS..Hα-helixtrans-63.6-38.4178.6-67.6176.8000112.8E95 F96 R99 N113 L114 R115 G119 R120 C121E95-L117 HydrophobicContact CB-CD2 4.5Å; E95-L117 HydrophobicContact CG-CD1 4.31Å; E95-L117 HydrophobicContact CG-CD2 3.73Å; E95-L117 VanDerWaalsContact OE1-CD2 3.27Å; E95-L117 WeakPolarHBondContact OE1-CD2 3.47Å; F96-L117 HydrophobicContact CB-CB 4.25Å; F96-L117 HydrophobicContact CD2-CB 3.98Å; R99-L117 HydrophobicContact CB-CD1 3.89Å; R99-L117 HydrophobicContact CG-CD1 3.94Å; N113-L117 WeakPolarHBondContact O-CG 2.99Å; N113-L117 PolarHBondContact O-N 3.26Å; L114-L117 PolarHBondContact O-N 2.94Å; R115-L117 PolarHBondContact O-N 2.92Å; L117-G119 VanDerWaalsContact C-N 3.27Å; L117-G119 PolarHBondContact O-N 2.88Å; L117-R120 PolarHBondContact O-N 2.76Å; L117-C121 PolarHBondContact O-SG 2.93Å
118A89.7Confident81.9Confident2 Ų255.7 Ų55.72%0.01732%0.32CS..Hα-helixtrans-61.8-32.918000000112.9F96 L114 R115 R116 R120 C121 F123 I133 L137F96-A118 HydrophobicContact CD2-CB 4.1Å; F96-A118 HydrophobicContact CE2-CB 3.84Å; L114-A118 WeakPolarHBondContact O-CB 3.46Å; L114-A118 PolarHBondContact O-N 3.48Å; R115-A118 PolarHBondContact O-N 3.29Å; R116-A118 VanDerWaalsContact C-N 3.34Å; R116-A118 PolarHBondContact O-N 2.83Å; A118-R120 PolarHBondContact O-N 2.93Å; A118-C121 WeakPolarHBondContact O-CB 3.11Å; A118-C121 PolarHBondContact O-N 3.24Å; A118-F123 HydrophobicContact CB-CD2 4.14Å; A118-F123 HydrophobicContact CB-CE2 3.97Å; A118-I133 HydrophobicContact CB-CD1 3.9Å; A118-I133 HydrophobicContact CB-CG1 3.97Å; A118-L137 HydrophobicContact CB-CD2 3.96Å; A118-L137 HydrophobicContact CB-CG 4.3Å
119G82.1Confident79.7Confident60 Ų6058.1 Ų58.162%0.61933%0.33SS*.Hα-helixtrans-57.2-32.8178.100000113.7R115 R116 L117R115-G119 PolarHBondContact O-N 2.9Å; R116-G119 PolarHBondContact O-N 3.28Å; L117-G119 VanDerWaalsContact C-N 3.27Å; L117-G119 PolarHBondContact O-N 2.88Å
120R80.3Confident77.6Confident80 Ų8057.5 Ų57.530%0.30234%0.338SS..Hα-helixtrans-86.5-10.7178.8-62.5-177.465.7-172-1.2113.8I18 D19 D84 A92 L117 A118 Q122I18-R120 VanDerWaalsContact CG2-NH1 3.32Å; D19-R120 WeakPolarHBondContact OD1-CD 3.2Å; D19-R120 IonicContact OD1-NH1 3.79Å; D84-R120 IonicContact OD1-NH2 3.29Å; D84-R120 IonicContact OD2-CZ 2.88Å; D84-R120 IonicContact OD2-NH2 2.76Å; D84-R120 PolarHBondContact OD2-NH2 2.65Å; A92-R120 HydrophobicContact CB-CB 3.79Å; A92-R120 WeakPolarHBondContact CB-O 3.48Å; L117-R120 PolarHBondContact O-N 2.76Å; A118-R120 PolarHBondContact O-N 2.93Å; R120-Q122 VanDerWaalsContact C-N 3.3Å; R120-Q122 PolarHBondContact O-N 3.26Å
121C85.3Confident75.8Confident0 Ų061.5 Ų61.50%036%0.359CS..THydrogen-bonded Turntrans-81-8.1-174-68.30000114.1V89 A92 R93 F96 L117 A118 F123V89-C121 WeakPolarHBondContact CG1-O 3.35Å; A92-C121 VanDerWaalsContact C-SG 3.53Å; A92-C121 PolarHBondContact O-SG 2.84Å; A92-C121 VanDerWaalsContact O-SG 3.37Å; R93-C121 HydrophobicContact CG-CB 3.74Å; R93-C121 PolarHBondContact NE-O 3.4Å; R93-C121 PolarHBondContact NH2-O 2.93Å; R93-C121 VanDerWaalsContact NH2-O 3.17Å; F96-C121 VanDerWaalsContact CB-SG 3.55Å; L117-C121 PolarHBondContact O-SG 2.93Å; A118-C121 WeakPolarHBondContact O-CB 3.11Å; A118-C121 PolarHBondContact O-N 3.24Å; C121-F123 HydrophobicContact CB-CD1 3.97Å; C121-F123 HydrophobicContact CB-CD2 3.58Å; C121-F123 HydrophobicContact CB-CE1 3.68Å; C121-F123 HydrophobicContact CB-CE2 3.29Å; C121-F123 HydrophobicContact CB-CG 3.92Å; C121-F123 HydrophobicContact CB-CZ 3.34Å; C121-F123 PolarHBondContact O-N 3.1Å
122Q80.5Confident74.5Confident109 Ų10965.9 Ų65.951%0.50938%0.376SS..THydrogen-bonded Turntrans45.548.1-174.6-62-178.23.600111.6V89 R93 R120 E124 A125V89-Q122 HydrophobicContact CG2-CB 4.15Å; V89-Q122 VanDerWaalsContact CG2-CD 3.45Å; V89-Q122 HydrophobicContact CG2-CG 4.04Å; R93-Q122 PolarHBondContact NH2-O 3.31Å; R93-Q122 VanDerWaalsContact NH2-O 3.11Å; R120-Q122 VanDerWaalsContact C-N 3.3Å; R120-Q122 PolarHBondContact O-N 3.26Å; Q122-E124 PolarHBondContact O-N 3.5Å; Q122-A125 HydrophobicContact CB-CB 4.08Å; Q122-A125 WeakPolarHBondContact O-CB 3.11Å; Q122-A125 PolarHBondContact O-N 2.83Å
123F79.7Confident73.7Confident11 Ų1165.2 Ų65.25%0.04836%0.364CS..G310 helixtrans-64.5-27.2177.5-68.2-49.5000111.8R93 F96 Y97 A118 C121 A125 I133 Q136R93-F123 HydrophobicContact CG-CE1 3.85Å; R93-F123 HydrophobicContact CG-CZ 4.23Å; F96-F123 HydrophobicContact CD1-CE2 4.07Å; F96-F123 AromaticContact CD1-CZ 3.67Å; F96-F123 HydrophobicContact CD1-CZ 3.67Å; F96-F123 HydrophobicContact CD2-CE2 4.31Å; F96-F123 HydrophobicContact CE1-CE2 4.03Å; F96-F123 AromaticContact CE1-CZ 3.86Å; F96-F123 HydrophobicContact CE1-CZ 3.86Å; F96-F123 HydrophobicContact CE2-CE2 4.27Å; F96-F123 HydrophobicContact CG-CE2 4.21Å; F96-F123 HydrophobicContact CG-CZ 4.09Å; F96-F123 HydrophobicContact CZ-CE2 4.13Å; F96-F123 HydrophobicContact CZ-CZ 4.42Å; Y97-F123 HydrophobicContact CE2-CE1 4.4Å; Y97-F123 HydrophobicContact CE2-CZ 4.48Å; A118-F123 HydrophobicContact CB-CD2 4.14Å; A118-F123 HydrophobicContact CB-CE2 3.97Å; C121-F123 HydrophobicContact CB-CD1 3.97Å; C121-F123 HydrophobicContact CB-CD2 3.58Å; C121-F123 HydrophobicContact CB-CE1 3.68Å; C121-F123 HydrophobicContact CB-CE2 3.29Å; C121-F123 HydrophobicContact CB-CG 3.92Å; C121-F123 HydrophobicContact CB-CZ 3.34Å; C121-F123 PolarHBondContact O-N 3.1Å; F123-A125 VanDerWaalsContact C-N 3.32Å; F123-A125 PolarHBondContact O-N 3.05Å; F123-I133 HydrophobicContact CD2-CG1 4.34Å; F123-Q136 HydrophobicContact CD1-CG 3.94Å; F123-Q136 HydrophobicContact CD2-CB 4.18Å; F123-Q136 HydrophobicContact CD2-CG 4.41Å; F123-Q136 HydrophobicContact CE1-CB 4.4Å; F123-Q136 HydrophobicContact CE1-CG 3.87Å; F123-Q136 HydrophobicContact CE2-CB 3.96Å; F123-Q136 HydrophobicContact CE2-CG 4.31Å; F123-Q136 HydrophobicContact CG-CB 4.47Å; F123-Q136 HydrophobicContact CG-CG 4.23Å; F123-Q136 HydrophobicContact CZ-CB 4.09Å; F123-Q136 HydrophobicContact CZ-CG 4.06Å
124E67.8Low73.2Confident142 Ų14266.9 Ų66.966%0.66437%0.373SS*.G310 helixtrans-72.4-17.8176.7-59.9177.6-177.600113.9Q122 A126Q122-E124 PolarHBondContact O-N 3.5Å; E124-A126 PolarHBondContact O-N 3.29Å; E124-A126 VanDerWaalsContact O-O 3.13Å
125A59.7Low72.8Confident75 Ų7570.8 Ų70.862%0.6239%0.39SS*.G310 helixtrans-69.11.3-179.200000113.7Q122 F123Q122-A125 HydrophobicContact CB-CB 4.08Å; Q122-A125 WeakPolarHBondContact O-CB 3.11Å; Q122-A125 PolarHBondContact O-N 2.83Å; F123-A125 VanDerWaalsContact C-N 3.32Å; F123-A125 PolarHBondContact O-N 3.05Å
126A52.7Low72.8Confident28 Ų2866.4 Ų66.423%0.23138%0.375CS..SBendtrans-92.4129.9166.700000109.4E124 T128 R132E124-A126 PolarHBondContact O-N 3.29Å; E124-A126 VanDerWaalsContact O-O 3.13Å; A126-T128 PolarHBondContact O-N 2.85Å; A126-R132 VanDerWaalsContact CB-CZ 3.41Å
127P48.6Very low73.1Confident136 Ų13661.2 Ų61.288%0.88336%0.356SS*.SBendtrans-68.117.9-164.3-18.530.8000117.4
128T50Low73.3Confident76 Ų7662.2 Ų62.247%0.46636%0.36SS..SBendtrans-141.2108.8-174.1390000110.5A126 R132A126-T128 PolarHBondContact O-N 2.85Å; T128-R132 WeakPolarHBondContact O-CD 3.39Å; T128-R132 PolarHBondContact O-NE 2.84Å; T128-R132 PolarHBondContact OG1-NH2 2.92Å
129V50.1Low73.5Confident91 Ų9166.2 Ų66.255%0.55238%0.381SS*.  trans78.7120.5156.6-145.20000116.1D131 R132V129-D131 HydrophobicContact CB-CB 4.09Å; V129-D131 HydrophobicContact CG1-CB 3.63Å; V129-D131 VanDerWaalsContact CG1-OD2 3.22Å; V129-D131 WeakPolarHBondContact CG1-OD2 3.32Å; V129-D131 PolarHBondContact O-N 2.99Å; V129-R132 PolarHBondContact O-N 3.42Å
130G53.8Low74.2Confident57 Ų5763.6 Ų63.659%0.58835%0.353SS*.THydrogen-bonded Turntrans-52.6-15.8166.600000113.4R132G130-R132 PolarHBondContact O-N 3.47Å
131D60.7Low75Confident84 Ų8459.8 Ų59.845%0.44934%0.339SS..Hα-helixtrans-62.6-17.3172.7-58.5-2.4000114.2V129 I133 D134 F135V129-D131 HydrophobicContact CB-CB 4.09Å; V129-D131 HydrophobicContact CG1-CB 3.63Å; V129-D131 VanDerWaalsContact CG1-OD2 3.22Å; V129-D131 WeakPolarHBondContact CG1-OD2 3.32Å; V129-D131 PolarHBondContact O-N 2.99Å; D131-I133 PolarHBondContact O-N 3.01Å; D131-D134 PolarHBondContact O-N 3.5Å; D131-F135 HydrophobicContact CB-CD2 4.08Å; D131-F135 HydrophobicContact CB-CE2 3.54Å; D131-F135 HydrophobicContact CB-CZ 4.27Å; D131-F135 WeakPolarHBondContact O-CD2 3.28Å; D131-F135 PolarHBondContact O-N 2.91Å
132R69.8Low75.6Confident93 Ų9361 Ų6135%0.35135%0.345SS..Hα-helixtrans-61.2-49.1-176.9-77.8-174.9-176.7-115.21112.2A126 T128 V129 G130 D134 F135 Q136A126-R132 VanDerWaalsContact CB-CZ 3.41Å; T128-R132 WeakPolarHBondContact O-CD 3.39Å; T128-R132 PolarHBondContact O-NE 2.84Å; T128-R132 PolarHBondContact OG1-NH2 2.92Å; V129-R132 PolarHBondContact O-N 3.42Å; G130-R132 PolarHBondContact O-N 3.47Å; R132-D134 PolarHBondContact O-N 3.33Å; R132-F135 PolarHBondContact O-N 3.33Å; R132-F135 VanDerWaalsContact O-N 3.1Å; R132-Q136 PolarHBondContact O-N 2.88Å; R132-Q136 PolarHBondContact O-NE2 3.34Å; R132-Q136 VanDerWaalsContact O-NE2 3.15Å; R132-Q136 PolarHBondContact O-OE1 3.3Å
133I77Confident76.3Confident39 Ų3960.5 Ų60.520%0.235%0.345CS..Hα-helixtrans-58.3-40.2-179.7-165.4170.3000111A118 F123 D131 F135 Q136 L137A118-I133 HydrophobicContact CB-CD1 3.9Å; A118-I133 HydrophobicContact CB-CG1 3.97Å; F123-I133 HydrophobicContact CD2-CG1 4.34Å; D131-I133 PolarHBondContact O-N 3.01Å; I133-F135 PolarHBondContact O-N 3.45Å; I133-Q136 PolarHBondContact O-N 3.11Å; I133-L137 HydrophobicContact CD1-CD1 4.47Å; I133-L137 HydrophobicContact CG1-CD1 3.84Å; I133-L137 HydrophobicContact CG1-CG 4.21Å; I133-L137 VanDerWaalsContact O-CB 3.23Å; I133-L137 WeakPolarHBondContact O-CB 3.5Å; I133-L137 WeakPolarHBondContact O-CG 3.15Å; I133-L137 PolarHBondContact O-N 3.01Å
134D84.5Confident77.2Confident73 Ų7360.1 Ų60.139%0.3935%0.345SS..Hα-helixtrans-64.5-40.5178-81.5-3.5000112.2D131 R132 Q138 I162D131-D134 PolarHBondContact O-N 3.5Å; R132-D134 PolarHBondContact O-N 3.33Å; D134-Q138 WeakPolarHBondContact O-CB 3.34Å; D134-Q138 PolarHBondContact O-N 2.81Å; D134-I162 HydrophobicContact CB-CG2 4.47Å
135F87.1Confident78.6Confident83 Ų8353.5 Ų53.536%0.36431%0.314SS..Hα-helixtrans-65.4-46.7174.6-67.9-55.7000112.2D131 R132 I133 L137 Q138 D139D131-F135 HydrophobicContact CB-CD2 4.08Å; D131-F135 HydrophobicContact CB-CE2 3.54Å; D131-F135 HydrophobicContact CB-CZ 4.27Å; D131-F135 WeakPolarHBondContact O-CD2 3.28Å; D131-F135 PolarHBondContact O-N 2.91Å; R132-F135 PolarHBondContact O-N 3.33Å; R132-F135 VanDerWaalsContact O-N 3.1Å; I133-F135 PolarHBondContact O-N 3.45Å; F135-L137 VanDerWaalsContact C-N 3.34Å; F135-L137 PolarHBondContact O-N 3.04Å; F135-Q138 PolarHBondContact O-N 3.35Å; F135-D139 WeakPolarHBondContact O-CB 3.28Å; F135-D139 VanDerWaalsContact O-CG 3.3Å; F135-D139 PolarHBondContact O-N 3.3Å
136Q91.2Very high80.4Confident36 Ų3653.6 Ų53.617%0.16831%0.31CS..Hα-helixtrans-63.9-41.7178.7-79.479.883.800111.6F96 Y97 F123 R132 I133 Q140F96-Q136 HydrophobicContact CE1-CB 4.13Å; F96-Q136 HydrophobicContact CZ-CB 4.22Å; F96-Q136 WeakPolarHBondContact CZ-O 3.45Å; Y97-Q136 WeakPolarHBondContact OH-CG 3.46Å; F123-Q136 HydrophobicContact CD1-CG 3.94Å; F123-Q136 HydrophobicContact CD2-CB 4.18Å; F123-Q136 HydrophobicContact CD2-CG 4.41Å; F123-Q136 HydrophobicContact CE1-CB 4.4Å; F123-Q136 HydrophobicContact CE1-CG 3.87Å; F123-Q136 HydrophobicContact CE2-CB 3.96Å; F123-Q136 HydrophobicContact CE2-CG 4.31Å; F123-Q136 HydrophobicContact CG-CB 4.47Å; F123-Q136 HydrophobicContact CG-CG 4.23Å; F123-Q136 HydrophobicContact CZ-CB 4.09Å; F123-Q136 HydrophobicContact CZ-CG 4.06Å; R132-Q136 PolarHBondContact O-N 2.88Å; R132-Q136 PolarHBondContact O-NE2 3.34Å; R132-Q136 VanDerWaalsContact O-NE2 3.15Å; R132-Q136 PolarHBondContact O-OE1 3.3Å; I133-Q136 PolarHBondContact O-N 3.11Å; Q136-Q140 WeakPolarHBondContact O-CB 3.27Å; Q136-Q140 PolarHBondContact O-N 2.68Å
137L93.5Very high82.5Confident4 Ų453.4 Ų53.42%0.02131%0.305CS..Hα-helixtrans-62.4-45.4174.3-76.4170.1000111.4F96 L114 R115 A118 I133 F135 F141 I162F96-L137 HydrophobicContact CE2-CD2 3.84Å; F96-L137 HydrophobicContact CZ-CD2 4.25Å; L114-L137 HydrophobicContact CB-CD2 3.83Å; R115-L137 HydrophobicContact CG-CD1 3.99Å; R115-L137 HydrophobicContact CG-CD2 4.11Å; A118-L137 HydrophobicContact CB-CD2 3.96Å; A118-L137 HydrophobicContact CB-CG 4.3Å; I133-L137 HydrophobicContact CD1-CD1 4.47Å; I133-L137 HydrophobicContact CG1-CD1 3.84Å; I133-L137 HydrophobicContact CG1-CG 4.21Å; I133-L137 VanDerWaalsContact O-CB 3.23Å; I133-L137 WeakPolarHBondContact O-CB 3.5Å; I133-L137 WeakPolarHBondContact O-CG 3.15Å; I133-L137 PolarHBondContact O-N 3.01Å; F135-L137 VanDerWaalsContact C-N 3.34Å; F135-L137 PolarHBondContact O-N 3.04Å; L137-F141 WeakPolarHBondContact O-CB 3.24Å; L137-F141 PolarHBondContact O-N 2.77Å; L137-I162 HydrophobicContact CB-CD1 3.46Å; L137-I162 VanDerWaalsContact CB-CD1 3.46Å; L137-I162 HydrophobicContact CD1-CD1 4.38Å
138Q94.4Very high84.7Confident27 Ų2747.9 Ų47.913%0.12627%0.273CS..Hα-helixtrans-59.4-50.2178.3175.5169.7-19.900111.4D134 F135 F141 L142 I160 I162 L165D134-Q138 WeakPolarHBondContact O-CB 3.34Å; D134-Q138 PolarHBondContact O-N 2.81Å; F135-Q138 PolarHBondContact O-N 3.35Å; Q138-F141 PolarHBondContact O-N 3.24Å; Q138-L142 WeakPolarHBondContact O-CB 3.36Å; Q138-L142 PolarHBondContact O-N 3.23Å; Q138-I160 PolarHBondContact NE2-O 3.44Å; Q138-I160 PolarHBondContact OE1-O 3.23Å; Q138-I162 HydrophobicContact CB-CB 4.13Å; Q138-I162 HydrophobicContact CB-CD1 4.43Å; Q138-I162 HydrophobicContact CB-CG1 4.24Å; Q138-L165 HydrophobicContact CG-CD2 3.87Å
139D94Very high86.9Confident86 Ų8646.6 Ų46.646%0.4627%0.27SS..Hα-helixtrans-62.1-49.7-179.5-70.5-16.6000110.6F135 F141 L142 I143F135-D139 WeakPolarHBondContact O-CB 3.28Å; F135-D139 VanDerWaalsContact O-CG 3.3Å; F135-D139 PolarHBondContact O-N 3.3Å; D139-F141 VanDerWaalsContact C-N 3.34Å; D139-F141 PolarHBondContact O-N 3.2Å; D139-L142 PolarHBondContact O-N 3.5Å; D139-I143 WeakPolarHBondContact O-CB 3.45Å; D139-I143 WeakPolarHBondContact O-CD1 3.46Å; D139-I143 WeakPolarHBondContact O-CG1 3.32Å; D139-I143 PolarHBondContact O-N 2.96Å
140Q96.6Very high89.1Confident6 Ų642.3 Ų42.33%0.02824%0.244CC..Hα-helixtrans-67.9-35.5-178-171.760.117.900112.5F96 Y97 R99 L114 Q136 G144F96-Q140 HydrophobicContact CD1-CB 4.45Å; F96-Q140 HydrophobicContact CD1-CG 4.4Å; F96-Q140 HydrophobicContact CE1-CB 3.59Å; F96-Q140 HydrophobicContact CE1-CG 3.99Å; F96-Q140 HydrophobicContact CE2-CB 4.46Å; F96-Q140 HydrophobicContact CZ-CB 3.6Å; F96-Q140 HydrophobicContact CZ-CG 4.1Å; F96-Q140 WeakPolarHBondContact O-CG 3.38Å; F96-Q140 PolarHBondContact O-NE2 3.2Å; Y97-Q140 VanDerWaalsContact C-NE2 3.34Å; Y97-Q140 PolarHBondContact O-NE2 3.15Å; Y97-Q140 PolarHBondContact O-OE1 2.99Å; R99-Q140 PolarHBondContact O-NE2 2.72Å; L114-Q140 HydrophobicContact CD1-CG 4.41Å; L114-Q140 HydrophobicContact CD2-CB 4.44Å; L114-Q140 HydrophobicContact CD2-CG 3.65Å; Q136-Q140 WeakPolarHBondContact O-CB 3.27Å; Q136-Q140 PolarHBondContact O-N 2.68Å; Q140-G144 WeakPolarHBondContact O-CA 3.44Å; Q140-G144 PolarHBondContact O-N 3.04Å
141F97.7Very high91.2Very high0 Ų043.4 Ų43.40%023%0.23CC..Hα-helixtrans-66-44.3174.8-176.8-105.9000111.2V107 F110 M111 L114 L137 Q138 D139 G144 M145 L165 Y166 A169V107-F141 HydrophobicContact CG1-CE2 4.17Å; V107-F141 HydrophobicContact CG1-CZ 3.72Å; F110-F141 AromaticContact CD1-CD2 3.57Å; F110-F141 HydrophobicContact CD1-CD2 3.57Å; F110-F141 AromaticContact CD1-CE2 3.63Å; F110-F141 HydrophobicContact CD1-CE2 3.63Å; F110-F141 AromaticContact CE1-CD2 3.51Å; F110-F141 HydrophobicContact CE1-CD2 3.51Å; F110-F141 HydrophobicContact CE1-CE2 4.01Å; F110-F141 HydrophobicContact CE1-CG 4.33Å; F110-F141 HydrophobicContact CZ-CD2 4.44Å; M111-F141 HydrophobicContact CB-CD2 4.35Å; M111-F141 HydrophobicContact CB-CE2 4.01Å; M111-F141 HydrophobicContact CE-CB 4.03Å; M111-F141 HydrophobicContact CE-CD1 3.73Å; M111-F141 HydrophobicContact CE-CD2 3.53Å; M111-F141 HydrophobicContact CE-CE1 3.98Å; M111-F141 HydrophobicContact CE-CE2 3.79Å; M111-F141 HydrophobicContact CE-CG 3.49Å; M111-F141 VanDerWaalsContact CE-CG 3.49Å; M111-F141 HydrophobicContact CE-CZ 3.99Å; M111-F141 HydrophobicContact SD-CD2 4.36Å; L114-F141 HydrophobicContact CD1-CB 3.75Å; L114-F141 HydrophobicContact CD1-CD2 4.01Å; L114-F141 HydrophobicContact CD1-CG 4.39Å; L137-F141 WeakPolarHBondContact O-CB 3.24Å; L137-F141 PolarHBondContact O-N 2.77Å; Q138-F141 PolarHBondContact O-N 3.24Å; D139-F141 VanDerWaalsContact C-N 3.34Å; D139-F141 PolarHBondContact O-N 3.2Å; F141-G144 PolarHBondContact O-N 3.37Å; F141-M145 WeakPolarHBondContact O-CB 3.44Å; F141-M145 PolarHBondContact O-N 2.93Å; F141-L165 HydrophobicContact CD1-CD1 4.38Å; F141-L165 HydrophobicContact CD1-CD2 3.68Å; F141-L165 HydrophobicContact CD1-CG 3.65Å; F141-L165 HydrophobicContact CE1-CD1 4.4Å; F141-L165 HydrophobicContact CE1-CD2 4.4Å; F141-L165 HydrophobicContact CE1-CG 3.85Å; F141-Y166 HydrophobicContact CE2-CD2 4.5Å; F141-Y166 AromaticContact CZ-CD2 3.98Å; F141-Y166 HydrophobicContact CZ-CD2 3.98Å; F141-A169 HydrophobicContact CE1-CB 3.78Å; F141-A169 HydrophobicContact CZ-CB 3.65Å
142L97.2Very high92.9Very high25 Ų2546.4 Ų46.413%0.13124%0.235CC..Hα-helixtrans-63.2-45.3176-177.961.5000112.2Q138 D139 M145 R151 V154 L155 L165Q138-L142 WeakPolarHBondContact O-CB 3.36Å; Q138-L142 PolarHBondContact O-N 3.23Å; D139-L142 PolarHBondContact O-N 3.5Å; L142-M145 HydrophobicContact CD1-SD 4.22Å; L142-M145 WeakPolarHBondContact O-CG 3.49Å; L142-R151 HydrophobicContact CD1-CG 3.97Å; L142-R151 WeakPolarHBondContact O-CD 3.46Å; L142-V154 HydrophobicContact CD1-CB 4.05Å; L142-V154 HydrophobicContact CD1-CG1 3.82Å; L142-V154 HydrophobicContact CD2-CG1 4.38Å; L142-L155 HydrophobicContact CD2-CD2 3.81Å; L142-L155 HydrophobicContact CD2-CG 4.47Å; L142-L155 HydrophobicContact CG-CD2 4.5Å; L142-L165 HydrophobicContact CB-CD2 3.95Å; L142-L165 HydrophobicContact CD1-CD1 4.04Å
143I96.9Very high94.2Very high98 Ų9848.1 Ų48.150%0.50324%0.241SC..Hα-helixtrans-68.5-41.4179.5-62.2163.7000109.9K100 D139 R151K100-I143 VanDerWaalsContact NZ-CG2 3.28Å; D139-I143 WeakPolarHBondContact O-CB 3.45Å; D139-I143 WeakPolarHBondContact O-CD1 3.46Å; D139-I143 WeakPolarHBondContact O-CG1 3.32Å; D139-I143 PolarHBondContact O-N 2.96Å; I143-R151 PolarHBondContact O-NH1 3.28Å
144G97.5Very high95.1Very high4 Ų447.2 Ų47.24%0.04124%0.238CC..Hα-helixtrans-87.4-13.7-170.300000116.4Q101 Q140 F141Q101-G144 WeakPolarHBondContact CB-O 3.46Å; Q101-G144 PolarHBondContact N-O 3.22Å; Q140-G144 WeakPolarHBondContact O-CA 3.44Å; Q140-G144 PolarHBondContact O-N 3.04Å; F141-G144 PolarHBondContact O-N 3.37Å
145M97.6Very high95.6Very high3 Ų349.3 Ų49.32%0.01525%0.249CC..  trans-63.6145.9-179.970.2-170.3-44.600112.9F110 F141 L142 T150 R151 A169F110-M145 HydrophobicContact CE1-CB 4.35Å; F141-M145 WeakPolarHBondContact O-CB 3.44Å; F141-M145 PolarHBondContact O-N 2.93Å; L142-M145 HydrophobicContact CD1-SD 4.22Å; L142-M145 WeakPolarHBondContact O-CG 3.49Å; M145-T150 HydrophobicContact CE-CG2 3.8Å; M145-R151 HydrophobicContact CG-CB 4.07Å; M145-R151 PolarHBondContact O-NH1 3.43Å; M145-R151 HydrophobicContact SD-CB 3.81Å; M145-R151 HydrophobicContact SD-CG 4.49Å; M145-A169 HydrophobicContact CE-CB 3.59Å
146S97.1Very high96Very high77 Ų7754.5 Ų54.554%0.53827%0.266SS..SBendtrans-79.2-32.5-179.464.30000112.6Q101 G148Q101-S146 VanDerWaalsContact CD-OG 3.23Å; Q101-S146 PolarHBondContact OE1-OG 3.09Å; Q101-S146 VanDerWaalsContact OE1-OG 3.06Å; S146-G148 PolarHBondContact O-N 3.47Å
147D96.5Very high96Very high23 Ų2354.6 Ų54.612%0.12328%0.276CS..  trans-71.890178.9-1791.9000111.8A149 T150 R151 I176D147-A149 PolarHBondContact O-N 3.26Å; D147-A149 WeakPolarHBondContact OD1-CA 3.33Å; D147-A149 VanDerWaalsContact OD1-CB 3.31Å; D147-A149 WeakPolarHBondContact OD1-CB 3.41Å; D147-A149 PolarHBondContact OD1-N 3.37Å; D147-T150 PolarHBondContact O-N 3.36Å; D147-T150 PolarHBondContact OD1-N 3.3Å; D147-T150 WeakPolarHBondContact OD2-CB 3.49Å; D147-T150 PolarHBondContact OD2-N 3.05Å; D147-T150 PolarHBondContact OD2-OG1 3.32Å; D147-R151 WeakPolarHBondContact O-CB 3.14Å; D147-R151 PolarHBondContact O-N 3.35Å; D147-I176 HydrophobicContact CB-CD1 4.41Å
148G96.1Very high96Very high21 Ų2159.6 Ų59.622%0.21631%0.309CS..Hα-helixtrans-64.7-19.4175.300000114.4S146 R152S146-G148 PolarHBondContact O-N 3.47Å; G148-R152 WeakPolarHBondContact O-CB 3.47Å; G148-R152 WeakPolarHBondContact O-CG 3.33Å; G148-R152 PolarHBondContact O-N 3.49Å; G148-R152 PolarHBondContact O-NE 3.28Å
149A95.8Very high95.8Very high48 Ų4866.8 Ų66.840%0.39734%0.34SS..Hα-helixtrans-76.6-47.6175.700000110.8D147 R152 R153D147-A149 PolarHBondContact O-N 3.26Å; D147-A149 WeakPolarHBondContact OD1-CA 3.33Å; D147-A149 VanDerWaalsContact OD1-CB 3.31Å; D147-A149 WeakPolarHBondContact OD1-CB 3.41Å; D147-A149 PolarHBondContact OD1-N 3.37Å; A149-R152 PolarHBondContact O-N 3.37Å; A149-R153 PolarHBondContact O-N 3.12Å
150T96.4Very high95.8Very high1 Ų164.3 Ų64.31%0.00633%0.326CS..Hα-helixtrans-63.4-44.4173.1-68.30000111.7M145 D147 R152 R153 V154 A168M145-T150 HydrophobicContact CE-CG2 3.8Å; D147-T150 PolarHBondContact O-N 3.36Å; D147-T150 PolarHBondContact OD1-N 3.3Å; D147-T150 WeakPolarHBondContact OD2-CB 3.49Å; D147-T150 PolarHBondContact OD2-N 3.05Å; D147-T150 PolarHBondContact OD2-OG1 3.32Å; T150-R152 PolarHBondContact O-N 2.91Å; T150-R153 WeakPolarHBondContact O-CB 3.31Å; T150-R153 PolarHBondContact O-N 3.39Å; T150-R153 VanDerWaalsContact O-N 3.11Å; T150-R153 PolarHBondContact OG1-NH2 3.49Å; T150-V154 HydrophobicContact CG2-CG2 4.31Å; T150-V154 WeakPolarHBondContact O-CG2 3.49Å; T150-V154 PolarHBondContact O-N 3.34Å; T150-A168 HydrophobicContact CG2-CB 4.19Å
151R97.1Very high95.6Very high81 Ų8167.5 Ų67.531%0.30635%0.346SS..Hα-helixtrans-54.3-49.3174.8-177.4168.164.4-141.6-8.4112.1L142 I143 M145 D147 R153 V154 L155L142-R151 HydrophobicContact CD1-CG 3.97Å; L142-R151 WeakPolarHBondContact O-CD 3.46Å; I143-R151 PolarHBondContact O-NH1 3.28Å; M145-R151 HydrophobicContact CG-CB 4.07Å; M145-R151 PolarHBondContact O-NH1 3.43Å; M145-R151 HydrophobicContact SD-CB 3.81Å; M145-R151 HydrophobicContact SD-CG 4.49Å; D147-R151 WeakPolarHBondContact O-CB 3.14Å; D147-R151 PolarHBondContact O-N 3.35Å; R151-R153 VanDerWaalsContact C-N 3.33Å; R151-R153 PolarHBondContact O-N 3.26Å; R151-V154 PolarHBondContact O-N 3.18Å; R151-L155 HydrophobicContact CG-CD1 3.87Å; R151-L155 HydrophobicContact CG-CG 4.41Å; R151-L155 WeakPolarHBondContact O-CB 3.31Å; R151-L155 VanDerWaalsContact O-CG 3.28Å; R151-L155 WeakPolarHBondContact O-CG 3.03Å; R151-L155 PolarHBondContact O-N 3.11Å
152R97.2Very high95.4Very high146 Ų14668.4 Ų68.455%0.55135%0.351SS*.Hα-helixtrans-61.6-38.6177.3-78.9-179.7-66.71670112.8G148 A149 T150 R156G148-R152 WeakPolarHBondContact O-CB 3.47Å; G148-R152 WeakPolarHBondContact O-CG 3.33Å; G148-R152 PolarHBondContact O-N 3.49Å; G148-R152 PolarHBondContact O-NE 3.28Å; A149-R152 PolarHBondContact O-N 3.37Å; T150-R152 PolarHBondContact O-N 2.91Å; R152-R156 WeakPolarHBondContact O-CG 3.48Å; R152-R156 PolarHBondContact O-N 2.94Å
153R95.9Very high95.3Very high129 Ų12974.5 Ų74.549%0.48738%0.376SS..Hα-helixtrans-65.1-44.8177.8-176.7173.963.5-104.3-1.2111.4A149 T150 R151 R156 G157A149-R153 PolarHBondContact O-N 3.12Å; T150-R153 WeakPolarHBondContact O-CB 3.31Å; T150-R153 PolarHBondContact O-N 3.39Å; T150-R153 VanDerWaalsContact O-N 3.11Å; T150-R153 PolarHBondContact OG1-NH2 3.49Å; R151-R153 VanDerWaalsContact C-N 3.33Å; R151-R153 PolarHBondContact O-N 3.26Å; R153-R156 PolarHBondContact O-N 2.9Å; R153-G157 PolarHBondContact O-N 3.46Å
154V96.1Very high95.2Very high21 Ų2174.6 Ų74.613%0.12738%0.375CS..Hα-helixtrans-63.7-46.6176.9171.20000111.1L142 T150 R151 R156 G157 I160 L165 A168L142-V154 HydrophobicContact CD1-CB 4.05Å; L142-V154 HydrophobicContact CD1-CG1 3.82Å; L142-V154 HydrophobicContact CD2-CG1 4.38Å; T150-V154 HydrophobicContact CG2-CG2 4.31Å; T150-V154 WeakPolarHBondContact O-CG2 3.49Å; T150-V154 PolarHBondContact O-N 3.34Å; R151-V154 PolarHBondContact O-N 3.18Å; V154-R156 PolarHBondContact O-N 3.04Å; V154-G157 PolarHBondContact O-N 3.39Å; V154-I160 HydrophobicContact CB-CD1 4.34Å; V154-I160 HydrophobicContact CG1-CD1 3.59Å; V154-I160 HydrophobicContact CG1-CG1 4.14Å; V154-I160 HydrophobicContact CG2-CD1 3.88Å; V154-L165 HydrophobicContact CB-CD1 4.45Å; V154-L165 HydrophobicContact CG1-CD1 4.13Å; V154-L165 HydrophobicContact CG2-CD1 3.86Å; V154-A168 HydrophobicContact CG2-CB 4.48Å
155L95.2Very high95.2Very high117 Ų11774.4 Ų74.461%0.61337%0.373SS*.Hα-helixtrans-62.5-24.4-179.3-72.6171.4000114L142 R151L142-L155 HydrophobicContact CD2-CD2 3.81Å; L142-L155 HydrophobicContact CD2-CG 4.47Å; L142-L155 HydrophobicContact CG-CD2 4.5Å; R151-L155 HydrophobicContact CG-CD1 3.87Å; R151-L155 HydrophobicContact CG-CG 4.41Å; R151-L155 WeakPolarHBondContact O-CB 3.31Å; R151-L155 VanDerWaalsContact O-CG 3.28Å; R151-L155 WeakPolarHBondContact O-CG 3.03Å; R151-L155 PolarHBondContact O-N 3.11Å
156R95.2Very high95.2Very high191 Ų19176.7 Ų76.772%0.72138%0.382SS*.Hα-helixtrans-88.9-14.4175.1-69.8174.3-178.1169.6-1.5113.3R152 R153 V154R152-R156 WeakPolarHBondContact O-CG 3.48Å; R152-R156 PolarHBondContact O-N 2.94Å; R153-R156 PolarHBondContact O-N 2.9Å; V154-R156 PolarHBondContact O-N 3.04Å
157G91.6Very high95.2Very high38 Ų3876.7 Ų76.739%0.39238%0.376SS..SBendtrans-85.6179.7-175.600000113.1R153 V154R153-G157 PolarHBondContact O-N 3.46Å; V154-G157 PolarHBondContact O-N 3.39Å
158P93Very high95.2Very high109 Ų10976.7 Ų76.771%0.70838%0.378SS*.  trans-65.4167.9168.931.5-35.7000110.8I160P158-I160 PolarHBondContact O-N 2.9Å
159K91.1Very high95.3Very high178 Ų17875.7 Ų75.777%0.77437%0.369SS*.  trans-57127.3168.6-176.4178.9-179.7179.90109.2
160I94Very high95.4Very high34 Ų3475.9 Ų75.917%0.17436%0.362CS..  trans-117.3159.5175.164.1176.2000110.1Q138 V154 P158 E164 L165Q138-I160 PolarHBondContact NE2-O 3.44Å; Q138-I160 PolarHBondContact OE1-O 3.23Å; V154-I160 HydrophobicContact CB-CD1 4.34Å; V154-I160 HydrophobicContact CG1-CD1 3.59Å; V154-I160 HydrophobicContact CG1-CG1 4.14Å; V154-I160 HydrophobicContact CG2-CD1 3.88Å; P158-I160 PolarHBondContact O-N 2.9Å; I160-E164 WeakPolarHBondContact CA-OE2 3.48Å; I160-E164 HydrophobicContact CB-CB 3.94Å; I160-E164 HydrophobicContact CD1-CB 4.45Å; I160-L165 HydrophobicContact CD1-CB 3.76Å; I160-L165 HydrophobicContact CD1-CD1 4.3Å; I160-L165 HydrophobicContact CG1-CB 4.27Å
161T92.7Very high95.4Very high74 Ų7480.2 Ų80.245%0.45439%0.389SS..  trans-76.4161.7172.162.20000111.4K163 E164 L165T161-K163 PolarHBondContact O-N 3.4Å; T161-E164 WeakPolarHBondContact CB-OE2 3.45Å; T161-E164 PolarHBondContact N-OE2 2.82Å; T161-E164 PolarHBondContact O-N 2.88Å; T161-E164 VanDerWaalsContact OG1-CD 3.31Å; T161-E164 VanDerWaalsContact OG1-CG 3.28Å; T161-E164 WeakPolarHBondContact OG1-CG 3.45Å; T161-E164 PolarHBondContact OG1-N 2.93Å; T161-E164 PolarHBondContact OG1-OE2 3.34Å; T161-L165 PolarHBondContact O-N 2.95Å
162I93.5Very high95.3Very high18 Ų1876.8 Ų76.89%0.09238%0.379CS..Hα-helixtrans-56.9-35.3172.9-168.2171.6000112.6M111 D134 L137 Q138 L165 Y166M111-I162 HydrophobicContact CE-CD1 4.14Å; M111-I162 HydrophobicContact CE-CG1 4.08Å; M111-I162 HydrophobicContact SD-CD1 4.44Å; D134-I162 HydrophobicContact CB-CG2 4.47Å; L137-I162 HydrophobicContact CB-CD1 3.46Å; L137-I162 VanDerWaalsContact CB-CD1 3.46Å; L137-I162 HydrophobicContact CD1-CD1 4.38Å; Q138-I162 HydrophobicContact CB-CB 4.13Å; Q138-I162 HydrophobicContact CB-CD1 4.43Å; Q138-I162 HydrophobicContact CB-CG1 4.24Å; I162-L165 PolarHBondContact O-N 3.47Å; I162-Y166 VanDerWaalsContact O-CB 3.31Å; I162-Y166 WeakPolarHBondContact O-CB 3.36Å; I162-Y166 PolarHBondContact O-N 3.21Å
163K93.9Very high95.3Very high153 Ų15372.5 Ų72.567%0.66537%0.365SS*.Hα-helixtrans-65.3-45177.6-177.1178.7178.2-179.90111.5T161 Y166 N167T161-K163 PolarHBondContact O-N 3.4Å; K163-Y166 PolarHBondContact O-N 2.9Å; K163-N167 WeakPolarHBondContact O-CB 3.45Å; K163-N167 VanDerWaalsContact O-CG 3.25Å; K163-N167 PolarHBondContact O-N 3.43Å; K163-N167 PolarHBondContact O-ND2 2.9Å
164E96.5Very high95.2Very high100 Ų10069 Ų6947%0.46736%0.36SS..Hα-helixtrans-65.7-40.7176.4-72163.8143.600111.5I160 T161 N167 A168I160-E164 WeakPolarHBondContact CA-OE2 3.48Å; I160-E164 HydrophobicContact CB-CB 3.94Å; I160-E164 HydrophobicContact CD1-CB 4.45Å; T161-E164 WeakPolarHBondContact CB-OE2 3.45Å; T161-E164 PolarHBondContact N-OE2 2.82Å; T161-E164 PolarHBondContact O-N 2.88Å; T161-E164 VanDerWaalsContact OG1-CD 3.31Å; T161-E164 VanDerWaalsContact OG1-CG 3.28Å; T161-E164 WeakPolarHBondContact OG1-CG 3.45Å; T161-E164 PolarHBondContact OG1-N 2.93Å; T161-E164 PolarHBondContact OG1-OE2 3.34Å; E164-N167 PolarHBondContact O-N 3.11Å; E164-A168 WeakPolarHBondContact O-CB 3.39Å; E164-A168 PolarHBondContact O-N 3.41Å
165L97.1Very high95.1Very high0 Ų070.4 Ų70.40%037%0.374CS..Hα-helixtrans-61.9-45.7175174.556.6000111.6Q138 F141 L142 V154 I160 T161 I162 N167 A168 A169Q138-L165 HydrophobicContact CG-CD2 3.87Å; F141-L165 HydrophobicContact CD1-CD1 4.38Å; F141-L165 HydrophobicContact CD1-CD2 3.68Å; F141-L165 HydrophobicContact CD1-CG 3.65Å; F141-L165 HydrophobicContact CE1-CD1 4.4Å; F141-L165 HydrophobicContact CE1-CD2 4.4Å; F141-L165 HydrophobicContact CE1-CG 3.85Å; L142-L165 HydrophobicContact CB-CD2 3.95Å; L142-L165 HydrophobicContact CD1-CD1 4.04Å; V154-L165 HydrophobicContact CB-CD1 4.45Å; V154-L165 HydrophobicContact CG1-CD1 4.13Å; V154-L165 HydrophobicContact CG2-CD1 3.86Å; I160-L165 HydrophobicContact CD1-CB 3.76Å; I160-L165 HydrophobicContact CD1-CD1 4.3Å; I160-L165 HydrophobicContact CG1-CB 4.27Å; T161-L165 PolarHBondContact O-N 2.95Å; I162-L165 PolarHBondContact O-N 3.47Å; L165-N167 PolarHBondContact O-N 3.34Å; L165-A168 PolarHBondContact O-N 3.48Å; L165-A169 WeakPolarHBondContact O-CB 3.41Å; L165-A169 PolarHBondContact O-N 3.09Å
166Y97.5Very high95Very high52 Ų5268.7 Ų68.720%0.20437%0.365CS..Hα-helixtrans-60.4-45.4176.6-178.2-110.8000111.6V107 A108 M111 F141 I162 K163 A168 A169 L170V107-Y166 HydrophobicContact CG1-CD2 4.1Å; V107-Y166 HydrophobicContact CG1-CE2 3.87Å; A108-Y166 WeakPolarHBondContact CA-OH 3.48Å; A108-Y166 WeakPolarHBondContact CB-OH 3.49Å; M111-Y166 HydrophobicContact CB-CD2 4Å; M111-Y166 HydrophobicContact CB-CE2 3.7Å; M111-Y166 HydrophobicContact CE-CD2 3.91Å; M111-Y166 HydrophobicContact CE-CG 4.47Å; M111-Y166 HydrophobicContact CG-CD2 3.95Å; M111-Y166 HydrophobicContact CG-CE2 3.94Å; F141-Y166 HydrophobicContact CE2-CD2 4.5Å; F141-Y166 AromaticContact CZ-CD2 3.98Å; F141-Y166 HydrophobicContact CZ-CD2 3.98Å; I162-Y166 VanDerWaalsContact O-CB 3.31Å; I162-Y166 WeakPolarHBondContact O-CB 3.36Å; I162-Y166 PolarHBondContact O-N 3.21Å; K163-Y166 PolarHBondContact O-N 2.9Å; Y166-A168 PolarHBondContact O-N 3.04Å; Y166-A169 WeakPolarHBondContact O-CB 3.38Å; Y166-A169 PolarHBondContact O-N 3.3Å; Y166-L170 HydrophobicContact CD1-CD1 3.92Å; Y166-L170 HydrophobicContact CD1-CG 4.48Å; Y166-L170 HydrophobicContact CE1-CD1 3.44Å; Y166-L170 VanDerWaalsContact CE1-CD1 3.44Å; Y166-L170 HydrophobicContact CE1-CG 4.12Å; Y166-L170 HydrophobicContact CE2-CG 4.43Å; Y166-L170 WeakPolarHBondContact O-CG 3.34Å; Y166-L170 PolarHBondContact O-N 3.34Å
167N97Very high94.9Very high77 Ų7765.5 Ų65.541%0.41236%0.358SS..Hα-helixtrans-63.8-39.1176.2-71.2-18.2000112.7K163 E164 L165 A169 L170 T171K163-N167 WeakPolarHBondContact O-CB 3.45Å; K163-N167 VanDerWaalsContact O-CG 3.25Å; K163-N167 PolarHBondContact O-N 3.43Å; K163-N167 PolarHBondContact O-ND2 2.9Å; E164-N167 PolarHBondContact O-N 3.11Å; L165-N167 PolarHBondContact O-N 3.34Å; N167-A169 VanDerWaalsContact C-N 3.31Å; N167-A169 PolarHBondContact O-N 2.96Å; N167-L170 PolarHBondContact O-N 2.66Å; N167-T171 WeakPolarHBondContact O-CB 3.12Å; N167-T171 PolarHBondContact O-N 3.43Å; N167-T171 PolarHBondContact O-OG1 2.92Å
168A97.1Very high94.9Very high22 Ų2269.6 Ų69.618%0.18237%0.367CS..Hα-helixtrans-63.8-38175.400000111.8T150 V154 E164 L165 Y166 G172T150-A168 HydrophobicContact CG2-CB 4.19Å; V154-A168 HydrophobicContact CG2-CB 4.48Å; E164-A168 WeakPolarHBondContact O-CB 3.39Å; E164-A168 PolarHBondContact O-N 3.41Å; L165-A168 PolarHBondContact O-N 3.48Å; Y166-A168 PolarHBondContact O-N 3.04Å; A168-G172 PolarHBondContact O-N 3.41Å
169A97.8Very high94.9Very high1 Ų167 Ų671%0.00835%0.352CS..Hα-helixtrans-68.1-45.2175.400000112.1V107 F141 M145 L165 Y166 N167 T171 G172 E173V107-A169 HydrophobicContact CG1-CB 3.67Å; V107-A169 HydrophobicContact CG2-CB 4.13Å; F141-A169 HydrophobicContact CE1-CB 3.78Å; F141-A169 HydrophobicContact CZ-CB 3.65Å; M145-A169 HydrophobicContact CE-CB 3.59Å; L165-A169 WeakPolarHBondContact O-CB 3.41Å; L165-A169 PolarHBondContact O-N 3.09Å; Y166-A169 WeakPolarHBondContact O-CB 3.38Å; Y166-A169 PolarHBondContact O-N 3.3Å; N167-A169 VanDerWaalsContact C-N 3.31Å; N167-A169 PolarHBondContact O-N 2.96Å; A169-T171 VanDerWaalsContact C-N 3.33Å; A169-T171 PolarHBondContact O-N 2.84Å; A169-G172 PolarHBondContact O-N 3.49Å; A169-G172 VanDerWaalsContact O-N 3.17Å; A169-E173 PolarHBondContact O-N 3.48Å
170L97.3Very high94.9Very high51 Ų5163.3 Ų63.327%0.26734%0.34SS..Hα-helixtrans-59-44.2174.3-72.6176.4000111.9V107 Y166 N167 G172 E173 S174V107-L170 HydrophobicContact CB-CD2 4.13Å; V107-L170 HydrophobicContact CG1-CD2 3.94Å; V107-L170 HydrophobicContact CG1-CG 4.2Å; Y166-L170 HydrophobicContact CD1-CD1 3.92Å; Y166-L170 HydrophobicContact CD1-CG 4.48Å; Y166-L170 HydrophobicContact CE1-CD1 3.44Å; Y166-L170 VanDerWaalsContact CE1-CD1 3.44Å; Y166-L170 HydrophobicContact CE1-CG 4.12Å; Y166-L170 HydrophobicContact CE2-CG 4.43Å; Y166-L170 WeakPolarHBondContact O-CG 3.34Å; Y166-L170 PolarHBondContact O-N 3.34Å; N167-L170 PolarHBondContact O-N 2.66Å; L170-G172 VanDerWaalsContact C-N 3.3Å; L170-G172 PolarHBondContact O-N 2.86Å; L170-E173 PolarHBondContact O-N 3.03Å; L170-S174 PolarHBondContact O-N 3.35Å; L170-S174 PolarHBondContact O-OG 3.47Å
171T96.4Very high94.7Very high93 Ų9366 Ų6657%0.57135%0.354SS*.Hα-helixtrans-62.4-39.8176.6-54.40000111.4N167 A169 A175N167-T171 WeakPolarHBondContact O-CB 3.12Å; N167-T171 PolarHBondContact O-N 3.43Å; N167-T171 PolarHBondContact O-OG1 2.92Å; A169-T171 VanDerWaalsContact C-N 3.33Å; A169-T171 PolarHBondContact O-N 2.84Å; T171-A175 VanDerWaalsContact O-CB 3.3Å; T171-A175 WeakPolarHBondContact O-CB 3.2Å; T171-A175 PolarHBondContact O-N 3.19Å
172G95.9Very high94.6Very high8 Ų867.6 Ų67.68%0.08236%0.359CS..Hα-helixtrans-64.1-45.1175.700000112.8A168 A169 L170 A175 I176A168-G172 PolarHBondContact O-N 3.41Å; A169-G172 PolarHBondContact O-N 3.49Å; A169-G172 VanDerWaalsContact O-N 3.17Å; L170-G172 VanDerWaalsContact C-N 3.3Å; L170-G172 PolarHBondContact O-N 2.86Å; G172-A175 PolarHBondContact O-N 2.84Å; G172-I176 WeakPolarHBondContact O-CG1 3.41Å; G172-I176 PolarHBondContact O-N 2.86Å
173E96Very high94.5Very high57 Ų5771.2 Ų71.227%0.26638%0.379SS..Hα-helixtrans-58.3-51.4175.1178.6174.176.300111.5S106 V107 A169 L170 A175 I176 E177S106-E173 WeakPolarHBondContact CA-OE2 3.27Å; S106-E173 WeakPolarHBondContact CB-OE2 3.41Å; V107-E173 HydrophobicContact CG2-CB 3.96Å; V107-E173 HydrophobicContact CG2-CG 4.47Å; V107-E173 PolarHBondContact N-OE2 3.03Å; A169-E173 PolarHBondContact O-N 3.48Å; L170-E173 PolarHBondContact O-N 3.03Å; E173-A175 VanDerWaalsContact C-N 3.32Å; E173-A175 PolarHBondContact O-N 3.34Å; E173-I176 PolarHBondContact O-N 2.79Å; E173-E177 PolarHBondContact O-N 3.02Å
174S94.2Very high94.2Very high55 Ų5567.4 Ų67.439%0.38537%0.371SS..Hα-helixtrans-61.6-38.3177.2-59.50000112.7L170 E177 Q178L170-S174 PolarHBondContact O-N 3.35Å; L170-S174 PolarHBondContact O-OG 3.47Å; S174-E177 PolarHBondContact O-N 3.21Å; S174-Q178 WeakPolarHBondContact O-CB 3.3Å; S174-Q178 VanDerWaalsContact O-CG 3.22Å; S174-Q178 WeakPolarHBondContact O-CG 3.39Å; S174-Q178 PolarHBondContact O-N 3.21Å
175A94.6Very high93.6Very high51 Ų5170.3 Ų70.342%0.42138%0.384SS..Hα-helixtrans-66-38.7177.500000112.4T171 G172 E173 S179T171-A175 VanDerWaalsContact O-CB 3.3Å; T171-A175 WeakPolarHBondContact O-CB 3.2Å; T171-A175 PolarHBondContact O-N 3.19Å; G172-A175 PolarHBondContact O-N 2.84Å; E173-A175 VanDerWaalsContact C-N 3.32Å; E173-A175 PolarHBondContact O-N 3.34Å; A175-S179 WeakPolarHBondContact O-CB 3.45Å; A175-S179 PolarHBondContact O-N 3.04Å
176I93.5Very high92.7Very high81 Ų8174 Ų7442%0.41541%0.41SS..Hα-helixtrans-65.9-45.8175-68.6165000110.2D147 G172 E173 S179 N180D147-I176 HydrophobicContact CB-CD1 4.41Å; G172-I176 WeakPolarHBondContact O-CG1 3.41Å; G172-I176 PolarHBondContact O-N 2.86Å; E173-I176 PolarHBondContact O-N 2.79Å; I176-S179 PolarHBondContact O-N 3.28Å; I176-N180 PolarHBondContact O-N 3.21Å; I176-N180 PolarHBondContact O-ND2 3.42Å
177E91.5Very high91.2Very high123 Ų12374.3 Ų74.358%0.57542%0.424SS*.Hα-helixtrans-59.8-48177.1-173.9177.8-167.900111.6E173 S174 S179 N180 L181E173-E177 PolarHBondContact O-N 3.02Å; S174-E177 PolarHBondContact O-N 3.21Å; E177-S179 PolarHBondContact O-N 2.93Å; E177-N180 PolarHBondContact O-N 3.27Å; E177-L181 WeakPolarHBondContact O-CG 3.46Å; E177-L181 PolarHBondContact O-N 3.37Å
178Q91.8Very high89.5Confident124 Ų12476.2 Ų76.258%0.57944%0.44SS*.Hα-helixtrans-62.1-40.5176.4-73.1176.2-2300112.5S174 L181 I182S174-Q178 WeakPolarHBondContact O-CB 3.3Å; S174-Q178 VanDerWaalsContact O-CG 3.22Å; S174-Q178 WeakPolarHBondContact O-CG 3.39Å; S174-Q178 PolarHBondContact O-N 3.21Å; Q178-L181 PolarHBondContact O-N 2.87Å; Q178-I182 WeakPolarHBondContact O-CG1 3.38Å; Q178-I182 PolarHBondContact O-N 2.94Å
179S92.7Very high87.7Confident56 Ų5683 Ų8339%0.39247%0.473SS..Hα-helixtrans-61.6-46.2174.9-169.10000111.4A175 I176 E177 L181 I182 D183A175-S179 WeakPolarHBondContact O-CB 3.45Å; A175-S179 PolarHBondContact O-N 3.04Å; I176-S179 PolarHBondContact O-N 3.28Å; E177-S179 PolarHBondContact O-N 2.93Å; S179-L181 VanDerWaalsContact C-N 3.28Å; S179-L181 PolarHBondContact O-N 3.3Å; S179-I182 PolarHBondContact O-N 3.39Å; S179-I182 VanDerWaalsContact O-N 3.15Å; S179-D183 PolarHBondContact O-N 2.94Å
180N91.5Very high85.7Confident99 Ų9994.7 Ų94.753%0.52952%0.516SS..Hα-helixtrans-61.2-37.9178-68.9-25.1000111.8I176 E177 D183 S184I176-N180 PolarHBondContact O-N 3.21Å; I176-N180 PolarHBondContact O-ND2 3.42Å; E177-N180 PolarHBondContact O-N 3.27Å; N180-D183 PolarHBondContact O-N 3.4Å; N180-S184 WeakPolarHBondContact O-CB 3.43Å; N180-S184 PolarHBondContact O-N 3.43Å
181L90.8Very high83.5Confident91 Ų91101 Ų10148%0.47654%0.544SS..Hα-helixtrans-63.1-47.8173.4-70.7171.3000111.3E177 Q178 S179 D183 S184 H185E177-L181 WeakPolarHBondContact O-CG 3.46Å; E177-L181 PolarHBondContact O-N 3.37Å; Q178-L181 PolarHBondContact O-N 2.87Å; S179-L181 VanDerWaalsContact C-N 3.28Å; S179-L181 PolarHBondContact O-N 3.3Å; L181-D183 VanDerWaalsContact C-N 3.33Å; L181-D183 PolarHBondContact O-N 3.24Å; L181-S184 PolarHBondContact O-N 3.14Å; L181-S184 PolarHBondContact O-OG 2.72Å; L181-H185 PolarHBondContact O-CD2 3.43Å; L181-H185 PolarHBondContact O-N 3.28Å
182I90.4Very high81.2Confident107 Ų107100.5 Ų100.555%0.54955%0.55SS.*Hα-helixtrans-59.2-44.9176.8-66.9165.3000110.9Q178 S179 S184 H185 S186Q178-I182 WeakPolarHBondContact O-CG1 3.38Å; Q178-I182 PolarHBondContact O-N 2.94Å; S179-I182 PolarHBondContact O-N 3.39Å; S179-I182 VanDerWaalsContact O-N 3.15Å; I182-S184 VanDerWaalsContact C-N 3.32Å; I182-S184 PolarHBondContact O-N 2.83Å; I182-H185 PolarHBondContact O-N 3.09Å; I182-S186 VanDerWaalsContact O-CB 3.28Å; I182-S186 WeakPolarHBondContact O-CB 3.29Å; I182-S186 PolarHBondContact O-N 2.87Å; I182-S186 PolarHBondContact O-OG 3.11Å
183D90.7Very high79Confident95 Ų95105.7 Ų105.751%0.50858%0.58SS.*Hα-helixtrans-64.2-37.3178.4-69.9-27.5000111.6S179 N180 L181 S186 A187S179-D183 PolarHBondContact O-N 2.94Å; N180-D183 PolarHBondContact O-N 3.4Å; L181-D183 VanDerWaalsContact C-N 3.33Å; L181-D183 PolarHBondContact O-N 3.24Å; D183-S186 CarbonylContact O-C 3.55Å; D183-S186 PolarHBondContact O-N 3Å; D183-A187 PolarHBondContact O-N 3.08Å
184S87.4Confident76.8Confident72 Ų72109.1 Ų109.150%0.50361%0.606SS.*Hα-helixtrans-67.2-36.1175.677.70000113N180 L181 I182 A187N180-S184 WeakPolarHBondContact O-CB 3.43Å; N180-S184 PolarHBondContact O-N 3.43Å; L181-S184 PolarHBondContact O-N 3.14Å; L181-S184 PolarHBondContact O-OG 2.72Å; I182-S184 VanDerWaalsContact C-N 3.32Å; I182-S184 PolarHBondContact O-N 2.83Å; S184-A187 WeakPolarHBondContact O-CB 3.38Å
185H83.5Confident74.4Confident161 Ų161114.6 Ų114.675%0.74562%0.624SS**Hα-helixtrans-75.3-28.6173.9-73.1-62.9000112.8L181 I182 A187L181-H185 PolarHBondContact O-CD2 3.43Å; L181-H185 PolarHBondContact O-N 3.28Å; I182-H185 PolarHBondContact O-N 3.09Å; H185-A187 VanDerWaalsContact C-N 3.35Å
186S78.9Confident72.1Confident78 Ų78117 Ų11755%0.54564%0.644SS.*Hα-helixtrans-88-5.2178.8-52.40000112.9I182 D183 P188I182-S186 VanDerWaalsContact O-CB 3.28Å; I182-S186 WeakPolarHBondContact O-CB 3.29Å; I182-S186 PolarHBondContact O-N 2.87Å; I182-S186 PolarHBondContact O-OG 3.11Å; D183-S186 CarbonylContact O-C 3.55Å; D183-S186 PolarHBondContact O-N 3Å; S186-P188 WeakPolarHBondContact O-CD 3.16Å; S186-P188 VanDerWaalsContact O-N 3.13Å
187A65.8Low69.8Low59 Ų59121.8 Ų121.849%0.48867%0.667SS.*SBendtrans-53.5120.517700000108.7D183 S184 H185 L189D183-A187 PolarHBondContact O-N 3.08Å; S184-A187 WeakPolarHBondContact O-CB 3.38Å; H185-A187 VanDerWaalsContact C-N 3.35Å; A187-L189 PolarHBondContact O-N 3.06Å
188P62.6Low67.5Low116 Ų116120.8 Ų120.875%0.75368%0.68SS**  trans-54.2121-179.6-22.129.9000108.4S186 R190S186-P188 WeakPolarHBondContact O-CD 3.16Å; S186-P188 VanDerWaalsContact O-N 3.13Å; P188-R190 PolarHBondContact O-N 2.84Å
189L59.2Low65.5Low165 Ų165122.8 Ų122.886%0.86470%0.695SS**  trans-42115.7158.6-79.3162.4000105.4A187 Q191A187-L189 PolarHBondContact O-N 3.06Å; L189-Q191 PolarHBondContact O-N 3.32Å
190R54.9Low63.1Low246 Ų246129.8 Ų129.893%0.92872%0.718SS**  trans-39.9106.6-179.2-76.9-176.8166.7-157.7-2.6107.1P188 A192P188-R190 PolarHBondContact O-N 2.84Å; R190-A192 PolarHBondContact O-N 2.86Å
191Q50.4Low60.8Low183 Ų183136.8 Ų136.886%0.85574%0.737SS**  trans-57.2113.8176-90.2178.6-12.400104.7L189 T193L189-Q191 PolarHBondContact O-N 3.32Å; Q191-T193 PolarHBondContact O-N 3.23Å
192A49.8Very low58.6Low84 Ų84141.4 Ų141.469%0.69476%0.756SS**  trans-48.5120.4177.200000106.7R190 T194R190-A192 PolarHBondContact O-N 2.86Å; A192-T194 PolarHBondContact O-N 3.46Å
193T49.8Very low56.4Low116 Ų116143.2 Ų143.271%0.71277%0.772SS**  trans-59.192.717341.80000107.4Q191 H195Q191-T193 PolarHBondContact O-N 3.23Å; T193-H195 PolarHBondContact O-N 2.9Å
194T48.5Very low53.9Low130 Ų130148.4 Ų148.480%0.79879%0.79SS**  trans-68.2101.7170.8460000106.8A192 A196A192-T194 PolarHBondContact O-N 3.46Å; T194-A196 PolarHBondContact O-N 3.47Å
195H43.9Very low51.9Low169 Ų169151.5 Ų151.578%0.78281%0.806SS**  trans-56.298.9168.8-69.3-82.1000109.1T193 M197T193-H195 PolarHBondContact O-N 2.9Å; H195-M197 PolarHBondContact O-N 2.73Å
196A46.5Very low49.9Very low101 Ų101148.3 Ų148.384%0.83580%0.802SS**  trans-75.8108.4170.200000108.8T194 A198T194-A196 PolarHBondContact O-N 3.47Å; A196-A198 PolarHBondContact O-N 3.49Å
197M45Very low48.1Very low182 Ų182154.9 Ų154.990%0.89781%0.814SS**  trans-63.7119.8175.3-67.9-175.2169.900110.8H195 N199H195-M197 PolarHBondContact O-N 2.73Å; M197-N199 PolarHBondContact O-N 3.45Å
198A43.9Very low47.1Very low102 Ų102159.9 Ų159.984%0.84383%0.828SS**  trans-7897.1173.800000110.5A196 K200A196-A198 PolarHBondContact O-N 3.49Å; A198-K200 PolarHBondContact O-N 3.47Å
199N49.6Very low46Very low167 Ų167161.8 Ų161.889%0.89383%0.832SS**  trans-85.4109.8169.1-105.1-12000110.7M197 R201M197-N199 PolarHBondContact O-N 3.45Å; N199-R201 PolarHBondContact O-N 3.46Å
200K42.6Very low45.1Very low203 Ų203160.3 Ų160.388%0.88383%0.829SS**  trans-75.2111.8178.1-148.2-178.2-167.8179.50108.8A198A198-K200 PolarHBondContact O-N 3.47Å
201R43.3Very low44.4Very low246 Ų246154.6 Ų154.693%0.92882%0.824SS**  trans-152.6122157.5-108.5165.5-166.6-152.52.5111.6N199N199-R201 PolarHBondContact O-N 3.46Å
202Q44.7Very low43.8Very low188 Ų188155 Ų15588%0.87982%0.823SS**  trans-66.2136.3177.5-64.8163.6-22.700110.2
203T43.1Very low43.6Very low144 Ų144156.1 Ų156.188%0.88383%0.826SS**  trans-167.4125.313532.90000109.9
204K37.8Very low43.8Very low204 Ų204157.6 Ų157.689%0.88783%0.825SS**  trans-59.5142167.2-70.7172.6173.3176.50109.3
205V46.7Very low44Very low137 Ų137155 Ų15583%0.8381%0.81SS**  trans168.9116.8130.8160.40000109.6
206S41.8Very low45.2Very low94 Ų94153.1 Ų153.166%0.65781%0.811SS**  trans47.1126.7139.3-150.10000122.4
207R40.8Very low47Very low216 Ų216155.2 Ų155.282%0.81580%0.801SS**  trans76.1102146.8-78.6172.2-178.3173.50.5118.8
208Q44.7Very low49.1Very low165 Ų165146.7 Ų146.777%0.77176%0.759SS**  135.3122.8110.5-85.1167.9-7.800115
209N38.2Very low51.3Low156 Ų156148.3 Ų148.383%0.83474%0.743SS**  trans66.687149.1-66.6-8.1000119.9
210V41.8Very low53.3Low133 Ų133142 Ų14281%0.80671%0.707SS**  trans-127.7126.6148-160.20000106.8F212V210-F212 PolarHBondContact O-N 2.97Å
211P40.4Very low55.7Low126 Ų126132.6 Ų132.682%0.81867%0.667SS**  trans-64.9113.1178.9-13.327000108.8S213P211-S213 PolarHBondContact O-N 3.38Å; P211-S213 VanDerWaalsContact O-N 3.15Å
212F36.2Very low57.8Low191 Ų191121.9 Ų121.984%0.83863%0.634SS**  trans-57.9113.6171.9-149.7-97.7000107.5V210 E214V210-F212 PolarHBondContact O-N 2.97Å; F212-E214 PolarHBondContact O-N 3.47Å
213S45.8Very low59.8Low108 Ų108114.7 Ų114.776%0.75561%0.606SS**  trans-63.9106.8171.662.30000107.6P211P211-S213 PolarHBondContact O-N 3.38Å; P211-S213 VanDerWaalsContact O-N 3.15Å
214E53.5Low61.9Low148 Ų148111.6 Ų111.669%0.69258%0.584SS**  trans-39.7132.9170.4-83.1-82.6144.600110.1F212 T216F212-E214 PolarHBondContact O-N 3.47Å; E214-T216 PolarHBondContact O-N 3.01Å
215P54.3Low64.2Low75 Ų75106 Ų10649%0.48758%0.584SS.*  trans-56.8110.8176.622.4-30.1000107.9K217 N224P215-K217 PolarHBondContact O-N 3.35Å; P215-N224 PolarHBondContact O-OD1 3.19Å
216T68.4Low66.2Low130 Ų130102.1 Ų102.180%0.79856%0.557SS**  trans-58.8110-173.6490000109E214 C218E214-T216 PolarHBondContact O-N 3.01Å; T216-C218 PolarHBondContact O-N 3.13Å
217K84.3Confident68.4Low145 Ų145100.1 Ų100.163%0.6354%0.543SS*.  trans-48.8129.8172.8-72.5170.1-177.1175.80108.9P215 W219 N224P215-K217 PolarHBondContact O-N 3.35Å; K217-W219 PolarHBondContact O-N 3.1Å; K217-W219 VanDerWaalsContact O-N 3.16Å; K217-N224 WeakPolarHBondContact CA-OD1 3.32Å; K217-N224 WeakPolarHBondContact CG-OD1 3.42Å
218C90.2Very high70.6Confident2 Ų291.4 Ų91.41%0.01451%0.514CS..  trans-57.8122.1176.7171.20000109.8T216 R220 C221 G222 A223 H226T216-C218 PolarHBondContact O-N 3.13Å; C218-R220 PolarHBondContact O-N 2.7Å; C218-C221 PolarHBondContact O-N 3.23Å; C218-G222 VanDerWaalsContact O-CA 3.26Å; C218-G222 WeakPolarHBondContact O-CA 3.29Å; C218-G222 PolarHBondContact O-N 3.11Å; C218-A223 VanDerWaalsContact CB-O 3.3Å; C218-A223 WeakPolarHBondContact CB-O 3.4Å; C218-A223 PolarHBondContact N-O 3.25Å; C218-H226 WeakPolarHBondContact CB-NE2 3.31Å; C218-H226 PolarHBondContact SG-NE2 3.17Å
219W89.1Confident72.6Confident136 Ų13688.7 Ų88.752%0.51551%0.505SS..THydrogen-bonded Turntrans-68.3-8.3-176.758.2-101.3000114.1K217 P228 A250K217-W219 PolarHBondContact O-N 3.1Å; K217-W219 VanDerWaalsContact O-N 3.16Å; W219-P228 HydrophobicContact CD2-CB 4.38Å; W219-P228 HydrophobicContact CG-CG 4.32Å; W219-P228 HydrophobicContact CZ2-CB 3.97Å; W219-A250 WeakPolarHBondContact O-CB 3.48Å
220R92.3Very high75Confident34 Ų3486.1 Ų86.113%0.12850%0.495CS..THydrogen-bonded Turntrans-88.5-34.5176.1-55.6-172-180-885.2113C218 P228 C231 G245 H246 V247 A250C218-R220 PolarHBondContact O-N 2.7Å; R220-P228 WeakPolarHBondContact CD-O 3.41Å; R220-P228 HydrophobicContact CG-CB 4.41Å; R220-P228 PolarHBondContact NE-O 2.75Å; R220-C231 HydrophobicContact CB-CB 4.26Å; R220-G245 WeakPolarHBondContact CB-O 3.27Å; R220-G245 WeakPolarHBondContact CD-O 3.44Å; R220-G245 WeakPolarHBondContact CG-O 3.34Å; R220-G245 PolarHBondContact NH1-O 3.2Å; R220-H246 CarbonylContact O-C 3.45Å; R220-H246 WeakPolarHBondContact O-CA 3.35Å; R220-H246 WeakPolarHBondContact O-CB 3.33Å; R220-V247 PolarHBondContact O-N 2.99Å; R220-A250 WeakPolarHBondContact O-CB 3.46Å
221C91.9Very high77.4Confident6 Ų680.1 Ų80.14%0.04146%0.459CS..THydrogen-bonded Turntrans-130.3-10.9-173.371.90000115.1C218 A223 H226 F233 V247 R249C218-C221 PolarHBondContact O-N 3.23Å; C221-A223 PolarHBondContact O-N 3.01Å; C221-A223 PolarHBondContact SG-N 3.02Å; C221-A223 VanDerWaalsContact SG-N 3.36Å; C221-H226 PolarHBondContact SG-CE1 2.98Å; C221-H226 PolarHBondContact SG-NE2 3.05Å; C221-F233 HydrophobicContact CB-CB 4.49Å; C221-F233 HydrophobicContact CB-CD2 3.36Å; C221-F233 HydrophobicContact CB-CE2 3.85Å; C221-F233 HydrophobicContact CB-CG 4.22Å; C221-V247 HydrophobicContact CB-CG2 4.44Å; C221-R249 PolarHBondContact O-NE 3.13Å; C221-R249 VanDerWaalsContact O-NE 3.16Å; C221-R249 PolarHBondContact O-NH2 2.83Å
222G87.1Confident79.8Confident22 Ų2284.8 Ų84.823%0.22746%0.46CS..SBendtrans70.97.3-176.200000114.7C218 R249C218-G222 VanDerWaalsContact O-CA 3.26Å; C218-G222 WeakPolarHBondContact O-CA 3.29Å; C218-G222 PolarHBondContact O-N 3.11Å; G222-R249 PolarHBondContact O-NH2 2.87Å; G222-R249 VanDerWaalsContact O-NH2 3.15Å
223A88Confident82.4Confident36 Ų3679.2 Ų79.230%0.29844%0.436SS..  trans-93156.117700000111.4C218 C221C218-A223 VanDerWaalsContact CB-O 3.3Å; C218-A223 WeakPolarHBondContact CB-O 3.4Å; C218-A223 PolarHBondContact N-O 3.25Å; C221-A223 PolarHBondContact O-N 3.01Å; C221-A223 PolarHBondContact SG-N 3.02Å; C221-A223 VanDerWaalsContact SG-N 3.36Å
224N87.3Confident84.4Confident79 Ų7978.7 Ų78.742%0.42242%0.42SS..SBendtrans-91.5168.6176.2-63.9-18.6000110.3P215 K217P215-N224 PolarHBondContact O-OD1 3.19Å; K217-N224 WeakPolarHBondContact CA-OD1 3.32Å; K217-N224 WeakPolarHBondContact CG-OD1 3.42Å
225G85.2Confident86.1Confident86 Ų8682.5 Ų82.589%0.88743%0.428SS*.SBendtrans90.59.7169.400000116.5
226H89.9Confident87.7Confident57 Ų5780.8 Ų80.826%0.26442%0.418SS..SBendtrans-153.7159.9172.163.4-75.6000111.1C218 C221 C231C218-H226 WeakPolarHBondContact CB-NE2 3.31Å; C218-H226 PolarHBondContact SG-NE2 3.17Å; C221-H226 PolarHBondContact SG-CE1 2.98Å; C221-H226 PolarHBondContact SG-NE2 3.05Å; H226-C231 VanDerWaalsContact CD2-CA 3.48Å; H226-C231 WeakPolarHBondContact CD2-CA 3.49Å; H226-C231 PolarHBondContact NE2-SG 3.32Å
227S87.3Confident88.8Confident51 Ų5180.3 Ų80.336%0.35741%0.406SS..  trans-81.3155.6173.473.40000110.5D229 T230 C231S227-D229 PolarHBondContact O-N 2.93Å; S227-T230 PolarHBondContact N-OG1 3.01Å; S227-T230 PolarHBondContact O-N 2.76Å; S227-T230 VanDerWaalsContact O-N 3.09Å; S227-T230 PolarHBondContact O-OG1 2.83Å; S227-T230 PolarHBondContact OG-N 3.14Å; S227-T230 PolarHBondContact OG-OG1 2.95Å; S227-C231 PolarHBondContact O-N 2.82Å
228P86.4Confident89.2Confident33 Ų3373.4 Ų73.421%0.21438%0.376CS..THydrogen-bonded Turntrans-56-23.8174.2-2635.3000114.2W219 R220W219-P228 HydrophobicContact CD2-CB 4.38Å; W219-P228 HydrophobicContact CG-CG 4.32Å; W219-P228 HydrophobicContact CZ2-CB 3.97Å; R220-P228 WeakPolarHBondContact CD-O 3.41Å; R220-P228 HydrophobicContact CG-CB 4.41Å; R220-P228 PolarHBondContact NE-O 2.75Å
229D86.6Confident89.1Confident109 Ų10983.7 Ų83.758%0.58342%0.416SS*.THydrogen-bonded Turntrans-78.6-27.7179.5-63.5-44.5000113.4S227S227-D229 PolarHBondContact O-N 2.93Å
230T89.5Confident89Confident101 Ų10183.8 Ų83.862%0.6242%0.417SS*.SBendtrans-97.79176.259.20000113.1S227 R232S227-T230 PolarHBondContact N-OG1 3.01Å; S227-T230 PolarHBondContact O-N 2.76Å; S227-T230 VanDerWaalsContact O-N 3.09Å; S227-T230 PolarHBondContact O-OG1 2.83Å; S227-T230 PolarHBondContact OG-N 3.14Å; S227-T230 PolarHBondContact OG-OG1 2.95Å; T230-R232 PolarHBondContact O-N 3.39Å
231C91.4Very high89Confident7 Ų783.9 Ų83.95%0.04742%0.423CS..  trans-69.5128.1-179.1-170.20000112.3R220 H226 S227 F233 K234R220-C231 HydrophobicContact CB-CB 4.26Å; H226-C231 VanDerWaalsContact CD2-CA 3.48Å; H226-C231 WeakPolarHBondContact CD2-CA 3.49Å; H226-C231 PolarHBondContact NE2-SG 3.32Å; S227-C231 PolarHBondContact O-N 2.82Å; C231-F233 PolarHBondContact O-N 2.7Å; C231-F233 PolarHBondContact SG-N 2.91Å; C231-F233 VanDerWaalsContact SG-N 3.44Å; C231-K234 VanDerWaalsContact O-CB 3.26Å; C231-K234 WeakPolarHBondContact O-CB 3.13Å; C231-K234 PolarHBondContact O-N 3.36Å
232R91.2Very high88.7Confident224 Ų22485.6 Ų85.685%0.84544%0.441SS*.THydrogen-bonded Turntrans-51.9-28.6171.3-178.9178.2172.5-175.5-1.5113.3T230T230-R232 PolarHBondContact O-N 3.39Å
233F90Very high88.8Confident74 Ų7490.7 Ų90.733%0.32546%0.457SS..THydrogen-bonded Turntrans-93.914.4-177.5-56.5-80000114.3C221 C231 R235 S236 G245 V247C221-F233 HydrophobicContact CB-CB 4.49Å; C221-F233 HydrophobicContact CB-CD2 3.36Å; C221-F233 HydrophobicContact CB-CE2 3.85Å; C221-F233 HydrophobicContact CB-CG 4.22Å; C231-F233 PolarHBondContact O-N 2.7Å; C231-F233 PolarHBondContact SG-N 2.91Å; C231-F233 VanDerWaalsContact SG-N 3.44Å; F233-R235 PolarHBondContact O-N 3.49Å; F233-S236 WeakPolarHBondContact CA-OG 3.43Å; F233-S236 PolarHBondContact O-N 3.21Å; F233-G245 CarbonylContact O-C 3.58Å; F233-V247 HydrophobicContact CB-CG1 3.7Å; F233-V247 HydrophobicContact CD1-CG1 3.17Å; F233-V247 HydrophobicContact CD2-CG1 4.03Å; F233-V247 HydrophobicContact CE1-CG1 3.68Å; F233-V247 HydrophobicContact CE2-CG1 4.43Å; F233-V247 HydrophobicContact CG-CG1 3.35Å; F233-V247 HydrophobicContact CZ-CG1 4.27Å
234K89.2Confident88.9Confident98 Ų9895.1 Ų95.143%0.42648%0.475SS..THydrogen-bonded Turntrans-57.6-28.6179.5-176.4176.6-177173.90114C231 G245C231-K234 VanDerWaalsContact O-CB 3.26Å; C231-K234 WeakPolarHBondContact O-CB 3.13Å; C231-K234 PolarHBondContact O-N 3.36Å; K234-G245 VanDerWaalsContact O-CA 3.3Å; K234-G245 WeakPolarHBondContact O-CA 3.49Å
235R88.3Confident89Confident227 Ų22791.6 Ų91.686%0.85746%0.458SS*.THydrogen-bonded Turntrans-117.211.5178.4-63.7-177.2177.7165.5-1.5113.3F233F233-R235 PolarHBondContact O-N 3.49Å
236S87.8Confident89.4Confident40 Ų4088.7 Ų88.728%0.2842%0.421SS..PPolyproline II helixtrans-82.2142.1-179.7-58.80000111.5F233 L244 G245F233-S236 WeakPolarHBondContact CA-OG 3.43Å; F233-S236 PolarHBondContact O-N 3.21Å; S236-L244 CarbonylContact O-C 3.44Å; S236-L244 WeakPolarHBondContact O-CA 3.49Å; S236-G245 PolarHBondContact O-N 2.95Å
237Q91Very high89.5Confident119 Ų11987.3 Ų87.356%0.55642%0.416SS*.BIsolated β-bridgetrans-79.6133.8173.3-165.6178.425.200110.8Y239 G242 L244Q237-Y239 PolarHBondContact O-N 2.92Å; Q237-G242 VanDerWaalsContact CG-O 3.3Å; Q237-G242 WeakPolarHBondContact CG-O 3.32Å; Q237-G242 PolarHBondContact NE2-O 3.13Å; Q237-G242 VanDerWaalsContact NE2-O 3.11Å; Q237-L244 HydrophobicContact CB-CD2 3.91Å; Q237-L244 HydrophobicContact CG-CD2 4.33Å
238C93.1Very high89.7Confident0 Ų086.2 Ų86.20%041%0.409CS..PPolyproline II helixtrans-75.4118173.4-179.10000110.4R240 C241 G242 K243 H246 C251C238-R240 PolarHBondContact O-N 3.37Å; C238-R240 PolarHBondContact SG-N 2.87Å; C238-R240 VanDerWaalsContact SG-N 3.42Å; C238-C241 PolarHBondContact O-N 3.16Å; C238-G242 WeakPolarHBondContact O-CA 3.39Å; C238-G242 PolarHBondContact O-N 2.9Å; C238-K243 WeakPolarHBondContact CB-O 3.5Å; C238-K243 PolarHBondContact N-O 3.27Å; C238-H246 WeakPolarHBondContact CB-NE2 3.24Å; C238-H246 WeakPolarHBondContact CB-O 3.48Å; C238-H246 PolarHBondContact N-O 3.21Å; C238-H246 PolarHBondContact SG-NE2 3.04Å; C238-H246 VanDerWaalsContact SG-NE2 3.38Å; C238-C251 PolarHBondContact SG-SG 3.34Å
239Y89.2Confident89.8Confident218 Ų21893 Ų9386%0.85543%0.43SS*.THydrogen-bonded Turntrans-64.2-11.3176-60.3-79.3000114.6Q237 S248Q237-Y239 PolarHBondContact O-N 2.92Å; Y239-S248 WeakPolarHBondContact CB-OG 2.92Å; Y239-S248 PolarHBondContact N-OG 3.36Å
240R87Confident89.9Confident138 Ų13888.9 Ų88.952%0.52141%0.411SS..THydrogen-bonded Turntrans-96.8-34.7-179.8-168.4-178.2-74148.60.5113.9C238 S248 C251 S254C238-R240 PolarHBondContact O-N 3.37Å; C238-R240 PolarHBondContact SG-N 2.87Å; C238-R240 VanDerWaalsContact SG-N 3.42Å; R240-S248 PolarHBondContact NH1-O 3Å; R240-C251 HydrophobicContact CB-CB 4.49Å; R240-S254 WeakPolarHBondContact CD-OG 3.24Å; R240-S254 PolarHBondContact NE-OG 3.39Å; R240-S254 PolarHBondContact NH1-OG 2.84Å
241C91.4Very high90Very high37 Ų3784.5 Ų84.525%0.2538%0.384CS..THydrogen-bonded Turntrans-124.4-1.1-176.775.20000114.6C238 K243 H246 C251C238-C241 PolarHBondContact O-N 3.16Å; C241-K243 PolarHBondContact O-N 3.26Å; C241-K243 VanDerWaalsContact O-N 3.08Å; C241-H246 PolarHBondContact SG-CE1 3.05Å; C241-H246 PolarHBondContact SG-NE2 3.49Å; C241-H246 VanDerWaalsContact SG-NE2 3.41Å; C241-C251 VanDerWaalsContact SG-SG 3.69Å
242G86Confident89.7Confident42 Ų4293.7 Ų93.743%0.43342%0.418SS..  trans72.9-8.718000000115.7Q237 C238Q237-G242 VanDerWaalsContact CG-O 3.3Å; Q237-G242 WeakPolarHBondContact CG-O 3.32Å; Q237-G242 PolarHBondContact NE2-O 3.13Å; Q237-G242 VanDerWaalsContact NE2-O 3.11Å; C238-G242 WeakPolarHBondContact O-CA 3.39Å; C238-G242 PolarHBondContact O-N 2.9Å
243K88.7Confident89.1Confident129 Ų12987 Ų8756%0.56141%0.405SS*.  trans-80.4149-177.9-60175.4-177.31720112.3C238 C241C238-K243 WeakPolarHBondContact CB-O 3.5Å; C238-K243 PolarHBondContact N-O 3.27Å; C241-K243 PolarHBondContact O-N 3.26Å; C241-K243 VanDerWaalsContact O-N 3.08Å
244L90.6Very high87.8Confident128 Ų12885.9 Ų85.967%0.6741%0.407SS*.BIsolated β-bridgetrans-79153176.5-63.7175.9000112.7S236 Q237S236-L244 CarbonylContact O-C 3.44Å; S236-L244 WeakPolarHBondContact O-CA 3.49Å; Q237-L244 HydrophobicContact CB-CD2 3.91Å; Q237-L244 HydrophobicContact CG-CD2 4.33Å
245G89.3Confident86.7Confident6 Ų687.3 Ų87.36%0.06242%0.419CS..SBendtrans97.18.8165.100000116.1R220 F233 K234 S236R220-G245 WeakPolarHBondContact CB-O 3.27Å; R220-G245 WeakPolarHBondContact CD-O 3.44Å; R220-G245 WeakPolarHBondContact CG-O 3.34Å; R220-G245 PolarHBondContact NH1-O 3.2Å; F233-G245 CarbonylContact O-C 3.58Å; K234-G245 VanDerWaalsContact O-CA 3.3Å; K234-G245 WeakPolarHBondContact O-CA 3.49Å; S236-G245 PolarHBondContact O-N 2.95Å
246H93.9Very high85.3Confident25 Ų2581.4 Ų81.412%0.11641%0.41CS..SBendtrans-155.6162.4169.668.1-73.4000111.3R220 C238 C241 C251R220-H246 CarbonylContact O-C 3.45Å; R220-H246 WeakPolarHBondContact O-CA 3.35Å; R220-H246 WeakPolarHBondContact O-CB 3.33Å; C238-H246 WeakPolarHBondContact CB-NE2 3.24Å; C238-H246 WeakPolarHBondContact CB-O 3.48Å; C238-H246 PolarHBondContact N-O 3.21Å; C238-H246 PolarHBondContact SG-NE2 3.04Å; C238-H246 VanDerWaalsContact SG-NE2 3.38Å; C241-H246 PolarHBondContact SG-CE1 3.05Å; C241-H246 PolarHBondContact SG-NE2 3.49Å; C241-H246 VanDerWaalsContact SG-NE2 3.41Å; H246-C251 PolarHBondContact NE2-SG 2.84Å
247V92.6Very high83.6Confident27 Ų2785.9 Ų85.916%0.16444%0.438CS..  trans-98.6163.6176.2-55.70000112R220 C221 F233 R249 A250 C251R220-V247 PolarHBondContact O-N 2.99Å; C221-V247 HydrophobicContact CB-CG2 4.44Å; F233-V247 HydrophobicContact CB-CG1 3.7Å; F233-V247 HydrophobicContact CD1-CG1 3.17Å; F233-V247 HydrophobicContact CD2-CG1 4.03Å; F233-V247 HydrophobicContact CE1-CG1 3.68Å; F233-V247 HydrophobicContact CE2-CG1 4.43Å; F233-V247 HydrophobicContact CG-CG1 3.35Å; F233-V247 HydrophobicContact CZ-CG1 4.27Å; V247-R249 HydrophobicContact CG2-CB 3.95Å; V247-R249 PolarHBondContact O-N 3.25Å; V247-A250 HydrophobicContact CG2-CB 4.41Å; V247-A250 CarbonylContact O-C 3.59Å; V247-A250 PolarHBondContact O-N 3.16Å; V247-C251 PolarHBondContact O-N 3.07Å
248S90.1Very high81.5Confident29 Ų2986.7 Ų86.720%0.20345%0.451CS..G310 helixtrans-50.5-34.9177.8-520000113.4Y239 R240 A250 C251Y239-S248 WeakPolarHBondContact CB-OG 2.92Å; Y239-S248 PolarHBondContact N-OG 3.36Å; R240-S248 PolarHBondContact NH1-O 3Å; S248-A250 VanDerWaalsContact C-N 3.3Å; S248-A250 PolarHBondContact O-N 3Å; S248-C251 WeakPolarHBondContact O-CB 3.47Å; S248-C251 PolarHBondContact O-N 3.43Å
249R88.5Confident79.1Confident175 Ų17591.1 Ų91.166%0.6649%0.488SS*.G310 helixtrans-65.6-28.2176.8-161.9175.576.3152.22.3114.2C221 G222 V247C221-R249 PolarHBondContact O-NE 3.13Å; C221-R249 VanDerWaalsContact O-NE 3.16Å; C221-R249 PolarHBondContact O-NH2 2.83Å; G222-R249 PolarHBondContact O-NH2 2.87Å; G222-R249 VanDerWaalsContact O-NH2 3.15Å; V247-R249 HydrophobicContact CG2-CB 3.95Å; V247-R249 PolarHBondContact O-N 3.25Å
250A88.6Confident76.7Confident22 Ų2287 Ų8718%0.18249%0.487CS..G310 helixtrans-105.111179.600000112.6W219 R220 V247 S248 R252W219-A250 WeakPolarHBondContact O-CB 3.48Å; R220-A250 WeakPolarHBondContact O-CB 3.46Å; V247-A250 HydrophobicContact CG2-CB 4.41Å; V247-A250 CarbonylContact O-C 3.59Å; V247-A250 PolarHBondContact O-N 3.16Å; S248-A250 VanDerWaalsContact C-N 3.3Å; S248-A250 PolarHBondContact O-N 3Å; A250-R252 PolarHBondContact O-N 3.21Å
251C91.2Very high74.2Confident9 Ų986.8 Ų86.86%0.06150%0.502CS..  trans-74.8122.2-175.6-165.20000111.7C238 R240 C241 H246 V247 S248 S253 S254C238-C251 PolarHBondContact SG-SG 3.34Å; R240-C251 HydrophobicContact CB-CB 4.49Å; C241-C251 VanDerWaalsContact SG-SG 3.69Å; H246-C251 PolarHBondContact NE2-SG 2.84Å; V247-C251 PolarHBondContact O-N 3.07Å; S248-C251 WeakPolarHBondContact O-CB 3.47Å; S248-C251 PolarHBondContact O-N 3.43Å; C251-S253 VanDerWaalsContact C-N 3.33Å; C251-S253 PolarHBondContact SG-OG 2.97Å; C251-S254 PolarHBondContact O-OG 3.22Å; C251-S254 VanDerWaalsContact O-OG 3.13Å
252R85.3Confident71.8Confident201 Ų20190.3 Ų90.376%0.75853%0.527SS*.G310 helixtrans-79.6-11179.8-66-173.9179.6-151.10.8114A250 S254 L255A250-R252 PolarHBondContact O-N 3.21Å; R252-S254 PolarHBondContact O-N 3.21Å; R252-L255 HydrophobicContact CG-CD1 4.48Å; R252-L255 PolarHBondContact O-N 3.23Å
253S79.1Confident69.7Low82 Ų8293.3 Ų93.357%0.57354%0.541SS*.G310 helixtrans-717.8174.266.40000113.5C251C251-S253 VanDerWaalsContact C-N 3.33Å; C251-S253 PolarHBondContact SG-OG 2.97Å
254S63.9Low67.4Low51 Ų5196 Ų9636%0.35756%0.556SS.*G310 helixtrans-122.6-2-171.4-290000112.7R240 C251 R252R240-S254 WeakPolarHBondContact CD-OG 3.24Å; R240-S254 PolarHBondContact NE-OG 3.39Å; R240-S254 PolarHBondContact NH1-OG 2.84Å; C251-S254 PolarHBondContact O-OG 3.22Å; C251-S254 VanDerWaalsContact O-OG 3.13Å; R252-S254 PolarHBondContact O-N 3.21Å
255L66.1Low64.6Low129 Ų129101.4 Ų101.468%0.67557%0.567SS**SBendtrans-85.9133.9175.3-70167.1000108.4R252R252-L255 HydrophobicContact CG-CD1 4.48Å; R252-L255 PolarHBondContact O-N 3.23Å
256P57.7Low62.3Low103 Ų103107.1 Ų107.167%0.66961%0.606SS**  trans-55.9145.2169.8-18.729.2000110.2T258P256-T258 PolarHBondContact O-N 3.35Å
257P51.4Low59.8Low133 Ų133110.8 Ų110.886%0.86464%0.641SS**  trans-65.5106.6178.625.3-30000109.7
258T48.8Very low57Low137 Ų137120.4 Ų120.484%0.8467%0.674SS**PPolyproline II helixtrans-73.4129.7168.840.90000109.6P256P256-T258 PolarHBondContact O-N 3.35Å
259A40.9Very low54.7Low93 Ų93127.6 Ų127.677%0.76971%0.709SS**PPolyproline II helixtrans-55.9144.2-171.700000114
260P40Very low52.1Low130 Ų130127.1 Ų127.184%0.84472%0.72SS**PPolyproline II helixtrans-86.9126-177.532.4-30.2000111.9
261T35Very low49.5Very low135 Ų135129.7 Ų129.783%0.82875%0.748SS**PPolyproline II helixtrans-85135.7162.633.70000110.4
262S40.3Very low46.7Very low111 Ų111138.9 Ų138.978%0.77679%0.79SS**SBendtrans80.5112.817074.10000119.5
263S41.9Very low44.2Very low104 Ų104134.8 Ų134.873%0.72779%0.791SS**  trans55.687.6142.240.50000118.8
264Q39.8Very low42.1Very low186 Ų186139.3 Ų139.387%0.86980%0.804SS**  50.7115.494.5-68.1-166.24.200113.9
265R32.5Very low40.5Very low241 Ų241146.1 Ų146.191%0.90983%0.83SS**  cis-152.2138.430.5-82.1169.1153.4-178-7.5110.4
266S40.3Very low39Very low126 Ų126148.8 Ų148.888%0.88184%0.836SS**  trans-152.3129.4144.6-130.50000110.1
267A41.2Very low37.7Very low102 Ų102152.8 Ų152.884%0.84385%0.846SS**  trans-77.2146-178.900000111.1
268R34.8Very low36.8Very low229 Ų229153 Ų15386%0.86484%0.844SS**  trans-74.1156.8-179.2-59.2171.8-175.1-179.6-0.5111.3
269L41Very low36Very low181 Ų181155 Ų15595%0.94884%0.844SS**  -159.4139.6120.2-96166.6000109.7
270N33.8Very low35.5Very low164 Ų164155.1 Ų155.188%0.87785%0.845SS**  trans-80.5154.1-172.4-77.5-18.5000112.9
271G35.4Very low35.1Very low76 Ų76157 Ų15778%0.78485%0.847SS**  trans-171.6116.2160.400000110.7
272E32.8Very low34.9Very low202 Ų202154.9 Ų154.994%0.94484%0.843SS**  trans-64.5139.8-175.1-68.2157.8112.100113
273C31.4Very low34.6Very low115 Ų115158.6 Ų158.678%0.77785%0.848SS**  trans-122.8110.5168.9-173.70000109.8
274Q36Very low34Very low178 Ų178162.1 Ų162.183%0.83285%0.853SS**PPolyproline II helixtrans-74.2126.3167.7-72178.4-11.900109.1K276Q274-K276 PolarHBondContact O-N 3.13Å
275Q29.7Very low33.6Very low194 Ų194158.9 Ų158.991%0.90785%0.848SS**PPolyproline II helixtrans-63.9117.4171.5-73175.4-4200109.8
276K34.5Very low33.7Very low184 Ų184156.5 Ų156.580%0.885%0.847SS**PPolyproline II helixtrans-101.8125.6160.1-83-174.4174.1-176.50108.9Q274Q274-K276 PolarHBondContact O-N 3.13Å
277E31.2Very low33.3Very low187 Ų187162.8 Ų162.887%0.87485%0.851SS**PPolyproline II helixtrans-65.6126.7172.8-70.7178.7143.500109.8
278V32.6Very low32.8Very low138 Ų138160.9 Ų160.984%0.83684%0.842SS**PPolyproline II helixtrans-97.4116.6168.5-178.40000106.7A280V278-A280 PolarHBondContact O-N 3.16Å; V278-A280 VanDerWaalsContact O-N 3.11Å
279H31.2Very low32.7Very low180 Ų180157.8 Ų157.883%0.83384%0.842SS**  trans-68.5104.2172.8-95.5-57.5000109.8
280A29.3Very low32.2Very low95 Ų95157.7 Ų157.779%0.78584%0.837SS**  trans-80.7114.6162.900000108.6V278V278-A280 PolarHBondContact O-N 3.16Å; V278-A280 VanDerWaalsContact O-N 3.11Å
281L33.3Very low32.2Very low169 Ų169155.9 Ų155.989%0.88583%0.834SS**  trans-84113.6169.5-78.1162.3000108.1
282A29.6Very low32Very low90 Ų90158.6 Ų158.674%0.74484%0.836SS**PPolyproline II helixtrans-72.6134.3168.700000109.4
283E34.1Very low32.2Very low190 Ų190154.1 Ų154.189%0.88883%0.827SS**PPolyproline II helixtrans-76118.8166.3-74.2179.6158.300108.9P285E283-P285 WeakPolarHBondContact O-CD 3.33Å
284E29.4Very low32.2Very low178 Ų178156.3 Ų156.383%0.83283%0.831SS**PPolyproline II helixtrans-76.8118.5163.4-73.2-79.9140.900107.8
285P32.4Very low32.2Very low117 Ų117153 Ų15376%0.7683%0.827SS**PPolyproline II helixtrans-75140.5172.622.1-15.5000109.9E283 R287E283-P285 WeakPolarHBondContact O-CD 3.33Å; P285-R287 PolarHBondContact O-N 3.03Å
286H34.1Very low32.5Very low192 Ų192151 Ų15189%0.88983%0.828SS**PPolyproline II helixtrans-53.3134.1175.2-82.1-76.8000112.1G288H286-G288 PolarHBondContact O-N 3.26Å
287R31.4Very low32.5Very low257 Ų257150.9 Ų150.997%0.9783%0.83SS**SBendtrans-43.3119.1170.4-118.1175.7-176.1-147.21112.2P285P285-R287 PolarHBondContact O-N 3.03Å
288G31.2Very low32.5Very low63 Ų63148.3 Ų148.365%0.64982%0.823SS**  trans164.7102.1166.400000112.4H286H286-G288 PolarHBondContact O-N 3.26Å
289D33.2Very low32.6Very low164 Ų164149.9 Ų149.988%0.87783%0.825SS**  trans74.2100.7156.7-51.7-27.1000120.1
290E30.5Very low32.7Very low179 Ų179145.6 Ų145.684%0.83682%0.815SS**  trans19.7116.2147.4-68.9-80.2136.100119.8
291P33.7Very low33.2Very low126 Ų126147.4 Ų147.482%0.81881%0.811SS**  trans-101127.2169.734.4-24.5000112.1
292T31.1Very low33.4Very low132 Ų132142.9 Ų142.981%0.8179%0.793SS**  trans-117.1131.3158.746.60000110.3
293S36.1Very low34.2Very low108 Ų108148.1 Ų148.176%0.75580%0.802SS**SBendtrans76.9104.4156.3-1600000119.8
294D31.4Very low34.8Very low161 Ų161143.6 Ų143.686%0.86178%0.784SS**  trans23.697.5138.4-66.6-18.6000119
295S36.7Very low35.6Very low109 Ų109137.1 Ų137.176%0.76276%0.759SS**  trans-162.1133.7140.655.10000110.2E297S295-E297 PolarHBondContact O-N 2.78Å
296V35.1Very low36.7Very low151 Ų151133.9 Ų133.992%0.91573%0.734SS**  trans-96.678.1176.5-79.70000108.7
297E34.6Very low37.6Very low182 Ų182129.6 Ų129.685%0.8572%0.716SS**  trans-140145.9164.4-71.4-163.1165.200110.4S295S295-E297 PolarHBondContact O-N 2.78Å
298D32.2Very low38.8Very low134 Ų134118.4 Ų118.472%0.71768%0.676SS**  trans9180158.9-139.730.6000119.3S300D298-S300 VanDerWaalsContact C-N 3.34Å; D298-S300 PolarHBondContact O-N 3.2Å; D298-S300 PolarHBondContact OD2-OG 3.23Å
299L34.9Very low40.1Very low170 Ų170121.1 Ų121.189%0.8967%0.67SS**  trans-88.679.2146.8-76.3171.2000107.9I301L299-I301 PolarHBondContact O-N 3.1Å
300S31.4Very low41.3Very low90 Ų90114.8 Ų114.863%0.62964%0.636SS**  trans-71.381.1169.449.40000109.7D298 S302D298-S300 VanDerWaalsContact C-N 3.34Å; D298-S300 PolarHBondContact O-N 3.2Å; D298-S300 PolarHBondContact OD2-OG 3.23Å; S300-S302 PolarHBondContact O-N 2.81Å
301I40.6Very low42.4Very low134 Ų134112.2 Ų112.269%0.68763%0.633SS**  trans-62.1110.5161.6-63.5172.1000105.6L299 Q303L299-I301 PolarHBondContact O-N 3.1Å; I301-Q303 PolarHBondContact O-N 3.02Å
302S37.1Very low43.3Very low74 Ų74111 Ų11152%0.51762%0.619SS.*  trans-50.4129.9173.184.10000108.2S300 N304 S305S300-S302 PolarHBondContact O-N 2.81Å; S302-N304 PolarHBondContact O-N 3.44Å; S302-S305 PolarHBondContact O-N 3.09Å
303Q46.7Very low44.2Very low200 Ų200112.1 Ų112.194%0.93562%0.616SS**THydrogen-bonded Turntrans-63.25.9-176-70.5178.9-13.900114I301I301-Q303 PolarHBondContact O-N 3.02Å
304N47.1Very low44.7Very low95 Ų95115 Ų11551%0.50862%0.617SS.*THydrogen-bonded Turntrans-117-5.2-173.3-87.724.4000115.6S302S302-N304 PolarHBondContact O-N 3.44Å
305S46.3Very low45.4Very low42 Ų42110 Ų11029%0.29459%0.592SS.*EExtended strand (participates in β ladder)trans-93.1129.7176.555.90000111.7S302 D373S302-S305 PolarHBondContact O-N 3.09Å; S305-D373 WeakPolarHBondContact CB-OD2 3.29Å
306I54.9Low45.4Very low48 Ų48112 Ų11225%0.24660%0.6CS.*EExtended strand (participates in β ladder)trans-118.4122171.6-64.8173.8000107.4L346 D371 L372 D373I306-L346 HydrophobicContact CD1-CD1 3.78Å; I306-L346 HydrophobicContact CG2-CD1 4.22Å; I306-D371 PolarHBondContact N-O 2.75Å; I306-L372 HydrophobicContact CB-CD2 3.5Å; I306-L372 VanDerWaalsContact CB-CD2 3.5Å; I306-L372 HydrophobicContact CD1-CD2 4.39Å; I306-L372 HydrophobicContact CG2-CD2 3.47Å; I306-L372 VanDerWaalsContact CG2-CD2 3.47Å; I306-L372 WeakPolarHBondContact O-CA 3.24Å; I306-D373 PolarHBondContact O-N 3.36Å
307M53.8Low45.8Very low102 Ų102106.7 Ų106.750%0.50258%0.576SS.*EExtended strand (participates in β ladder)trans-85.6137178-58-175.385.200111.1F309 F375M307-F309 HydrophobicContact CB-CD2 4.34Å; M307-F309 HydrophobicContact CB-CE2 3.52Å; M307-F309 HydrophobicContact CB-CZ 3.86Å; M307-F309 HydrophobicContact CE-CE1 4.06Å; M307-F309 HydrophobicContact CE-CE2 4.29Å; M307-F309 HydrophobicContact CE-CZ 3.41Å; M307-F309 VanDerWaalsContact CE-CZ 3.41Å; M307-F309 HydrophobicContact CG-CE2 4.46Å; M307-F309 HydrophobicContact CG-CZ 4.44Å; M307-F309 HydrophobicContact SD-CE2 4.17Å; M307-F309 HydrophobicContact SD-CZ 3.81Å; M307-F375 HydrophobicContact CE-CD2 4.16Å; M307-F375 HydrophobicContact CE-CE2 3.56Å; M307-F375 HydrophobicContact CE-CZ 4.31Å
308V55.1Low46.4Very low22 Ų22107.9 Ų107.913%0.13358%0.581CS.*EExtended strand (participates in β ladder)trans-117.2125.6174.7-178.20000109.3L348 L372 D373 I374 F375V308-L348 HydrophobicContact CB-CD1 4.31Å; V308-L348 HydrophobicContact CG1-CD1 3.54Å; V308-L348 HydrophobicContact CG2-CD1 3.73Å; V308-L372 HydrophobicContact CG2-CD2 4.03Å; V308-D373 PolarHBondContact N-O 2.86Å; V308-I374 HydrophobicContact CB-CG2 4.13Å; V308-I374 HydrophobicContact CG1-CG2 4.34Å; V308-F375 PolarHBondContact O-N 3.45Å; V308-F375 VanDerWaalsContact O-N 3.08Å
309F59.9Low47.1Very low121 Ų121105.9 Ų105.953%0.53157%0.574SS.*EExtended strand (participates in β ladder)trans-124.5140176.3-54.9-84000109.8M307 F375M307-F309 HydrophobicContact CB-CD2 4.34Å; M307-F309 HydrophobicContact CB-CE2 3.52Å; M307-F309 HydrophobicContact CB-CZ 3.86Å; M307-F309 HydrophobicContact CE-CE1 4.06Å; M307-F309 HydrophobicContact CE-CE2 4.29Å; M307-F309 HydrophobicContact CE-CZ 3.41Å; M307-F309 VanDerWaalsContact CE-CZ 3.41Å; M307-F309 HydrophobicContact CG-CE2 4.46Å; M307-F309 HydrophobicContact CG-CZ 4.44Å; M307-F309 HydrophobicContact SD-CE2 4.17Å; M307-F309 HydrophobicContact SD-CZ 3.81Å; F309-F375 HydrophobicContact CD1-CB 4.32Å; F309-F375 HydrophobicContact CE1-CD2 4.22Å
310N57.7Low47.9Very low30 Ų30102.7 Ų102.716%0.1657%0.571CS.*  trans-132.1108.8168.3-178.7-33.8000108.2N312 L377N310-N312 PolarHBondContact O-N 3.05Å; N310-N312 VanDerWaalsContact OD1-CG 3.3Å; N310-N312 PolarHBondContact OD1-ND2 3.08Å; N310-N312 PolarHBondContact OD1-OD1 3.48Å; N310-L377 WeakPolarHBondContact O-CD1 3.44Å
311T53.5Low49.1Very low125 Ų125103.3 Ų103.377%0.76757%0.571SS**  trans-95.185.2179.553.20000110.5E313T311-E313 PolarHBondContact O-N 2.91Å
312N52.7Low50.2Low100 Ų100104.3 Ų104.354%0.53557%0.573SS.*  trans-82.5101.9165.6-71.8-34.4000108.7N310 E314N310-N312 PolarHBondContact O-N 3.05Å; N310-N312 VanDerWaalsContact OD1-CG 3.3Å; N310-N312 PolarHBondContact OD1-ND2 3.08Å; N310-N312 PolarHBondContact OD1-OD1 3.48Å; N312-E314 PolarHBondContact O-N 3.46Å
313E50.8Low51.7Low157 Ų157112.2 Ų112.273%0.73459%0.592SS**  trans-84.3108.4176.3-149-179.9-162.600109.5T311 V315T311-E313 PolarHBondContact O-N 2.91Å; E313-V315 HydrophobicContact CB-CG2 3.86Å; E313-V315 HydrophobicContact CG-CG2 3.6Å; E313-V315 PolarHBondContact O-N 3.18Å; E313-V315 WeakPolarHBondContact OE2-CG2 3.31Å
314E44.9Very low53.1Low169 Ų169105.1 Ų105.179%0.7957%0.567SS**  trans-73.583.1162.5-81-176.417600107.8N312 T316N312-E314 PolarHBondContact O-N 3.46Å; E314-T316 PolarHBondContact O-N 3.05Å; E314-T316 VanDerWaalsContact O-N 3.13Å
315V46Very low54.8Low56 Ų56105.2 Ų105.234%0.33957%0.571SS.*  trans-75.8103.7179.7-174.90000110E313 G317 V321E313-V315 HydrophobicContact CB-CG2 3.86Å; E313-V315 HydrophobicContact CG-CG2 3.6Å; E313-V315 PolarHBondContact O-N 3.18Å; E313-V315 WeakPolarHBondContact OE2-CG2 3.31Å; V315-G317 PolarHBondContact O-N 3.44Å; V315-V321 HydrophobicContact CG2-CG2 4.23Å
316T38.6Very low56.8Low150 Ų150106.2 Ų106.292%0.9258%0.575SS**  trans-7573.1162.643.30000109.6E314E314-T316 PolarHBondContact O-N 3.05Å; E314-T316 VanDerWaalsContact O-N 3.13Å
317G43.6Very low58.4Low39 Ų39106.1 Ų106.140%0.40258%0.575SS.*SBendtrans174.1147.6-178.500000112.4V315 T319V315-G317 PolarHBondContact O-N 3.44Å; G317-T319 PolarHBondContact O-N 2.88Å
318H46.3Very low60.1Low208 Ų208104.3 Ų104.396%0.96357%0.573SS**SBendtrans-69.225.5-168.3-69.854.4000115.6
319T47.7Very low61.7Low92 Ų92104.4 Ų104.456%0.56457%0.572SS**  trans-89.7107.1173.825.90000109.4G317 V321G317-T319 PolarHBondContact O-N 2.88Å; T319-V321 PolarHBondContact O-N 3.28Å
320A51.1Low63.1Low102 Ų102104.9 Ų104.984%0.84358%0.579SS**  trans-65.2102.6171.900000109.3
321V56.5Low64.5Low104 Ų104105.6 Ų105.663%0.6358%0.584SS**PPolyproline II helixtrans-70.7127168.2-178.10000107.3V315 T319 R323V315-V321 HydrophobicContact CG2-CG2 4.23Å; T319-V321 PolarHBondContact O-N 3.28Å; V321-R323 PolarHBondContact O-N 3.36Å
322E64.4Low66.2Low154 Ų154104.4 Ų104.472%0.7257%0.573SS**PPolyproline II helixtrans-56.8134.1173.2-77.4-173.5165.600109.2A324E322-A324 PolarHBondContact O-N 3.48Å
323R68.6Low67.9Low241 Ų241107.3 Ų107.391%0.90959%0.588SS**PPolyproline II helixtrans-62140.1178.3-73.5-176.3177.4149.5-0.2109.4V321 T325V321-R323 PolarHBondContact O-N 3.36Å; R323-T325 PolarHBondContact O-N 3.24Å
324A75.4Confident69.7Low50 Ų50101.5 Ų101.541%0.41356%0.564SS.*PPolyproline II helixtrans-55.3139.7174.600000110.5E322 T326 E339E322-A324 PolarHBondContact O-N 3.48Å; A324-T326 PolarHBondContact O-N 3.07Å; A324-E339 VanDerWaalsContact CB-CD 3.44Å; A324-E339 HydrophobicContact CB-CG 3.72Å; A324-E339 WeakPolarHBondContact CB-OE1 3.22Å
325T82.8Confident72Confident98 Ų98100.1 Ų100.160%0.60156%0.557SS**PPolyproline II helixtrans-74.7121.9177.6-56.50000108.4R323 I340R323-T325 PolarHBondContact O-N 3.24Å; T325-I340 HydrophobicContact CG2-CD1 3.83Å; T325-I340 PolarHBondContact O-N 2.95Å
326T87.8Confident74.1Confident62 Ų6297.8 Ų97.838%0.3854%0.543SS..EExtended strand (participates in β ladder)trans-110.8157.8179.862.70000112.7A324 E337 F338A324-T326 PolarHBondContact O-N 3.07Å; T326-E337 WeakPolarHBondContact CB-OE1 3.29Å; T326-E337 HydrophobicContact CG2-CG 4.1Å; T326-E337 PolarHBondContact OG1-OE1 3.37Å; T326-F338 CarbonylContact C-O 3.59Å; T326-F338 WeakPolarHBondContact CA-O 3.22Å; T326-F338 WeakPolarHBondContact CB-O 3.09Å
327I88.3Confident76.6Confident47 Ų4795.2 Ų95.224%0.24152%0.52CS..EExtended strand (participates in β ladder)trans-140.9134.7171.7-172.1171.5000110.4L329 F338 I340 L385 I395I327-L329 HydrophobicContact CD1-CD2 4.12Å; I327-L329 HydrophobicContact CG1-CD2 4.18Å; I327-L329 HydrophobicContact CG2-CG 4.38Å; I327-F338 HydrophobicContact CG2-CB 4.37Å; I327-F338 PolarHBondContact N-O 3.37Å; I327-F338 PolarHBondContact O-N 3.35Å; I327-I340 HydrophobicContact CB-CD1 4.32Å; I327-I340 HydrophobicContact CB-CG1 4.47Å; I327-I340 HydrophobicContact CG2-CD1 4.2Å; I327-I340 HydrophobicContact CG2-CG1 3.92Å; I327-L385 HydrophobicContact CG2-CD2 3.52Å; I327-I395 HydrophobicContact CD1-CD1 3.67Å; I327-I395 HydrophobicContact CD1-CG1 3.94Å
328S91Very high78.8Confident64 Ų6493.7 Ų93.745%0.44850%0.503SS..EExtended strand (participates in β ladder)trans-85.1126.3173.6-61.90000111E335 I336S328-E335 WeakPolarHBondContact CB-OE1 3.45Å; S328-I336 WeakPolarHBondContact CA-O 3.36Å
329L88.2Confident80.7Confident23 Ų2386.4 Ų86.412%0.1247%0.469CS..EExtended strand (participates in β ladder)trans-126139.5177.2-58.9177.9000110.7I327 V331 I336 F338 L385 L393I327-L329 HydrophobicContact CD1-CD2 4.12Å; I327-L329 HydrophobicContact CG1-CD2 4.18Å; I327-L329 HydrophobicContact CG2-CG 4.38Å; L329-V331 HydrophobicContact CB-CG2 4.4Å; L329-V331 PolarHBondContact O-N 3.4Å; L329-I336 PolarHBondContact N-O 2.9Å; L329-I336 PolarHBondContact O-N 3.04Å; L329-F338 HydrophobicContact CB-CD2 4.06Å; L329-F338 HydrophobicContact CB-CE2 4.05Å; L329-F338 HydrophobicContact CD1-CD2 3.83Å; L329-F338 HydrophobicContact CD1-CE2 4.11Å; L329-F338 HydrophobicContact CG-CD2 4.1Å; L329-F338 HydrophobicContact CG-CE2 4.48Å; L329-L385 HydrophobicContact CD1-CD1 3.6Å; L329-L385 HydrophobicContact CD1-CD2 4.01Å; L329-L385 HydrophobicContact CD1-CG 4.45Å; L329-L393 HydrophobicContact CD1-CD1 3.54Å; L329-L393 HydrophobicContact CD2-CD1 3.59Å; L329-L393 HydrophobicContact CD2-CD2 4.01Å; L329-L393 HydrophobicContact CD2-CG 4.41Å; L329-L393 HydrophobicContact CG-CD1 4.24Å
330I89.3Confident82.6Confident132 Ų13283.4 Ų83.468%0.67745%0.449SS*.EExtended strand (participates in β ladder)trans-85.3113.5170.9-59.2175.1000108.3V334I330-V334 WeakPolarHBondContact CA-O 3.18Å
331V87.2Confident84.2Confident44 Ų4480.7 Ų80.727%0.26742%0.421SS..EExtended strand (participates in β ladder)trans-118.7120.7176.5-176.30000108.1L329 N333 V334 I336 F338 W358L329-V331 HydrophobicContact CB-CG2 4.4Å; L329-V331 PolarHBondContact O-N 3.4Å; V331-N333 VanDerWaalsContact C-N 3.26Å; V331-N333 PolarHBondContact O-N 3.29Å; V331-V334 PolarHBondContact N-O 2.97Å; V331-V334 PolarHBondContact O-N 3.17Å; V331-I336 HydrophobicContact CB-CD1 3.69Å; V331-I336 HydrophobicContact CG1-CD1 4.4Å; V331-I336 HydrophobicContact CG2-CD1 3.92Å; V331-F338 HydrophobicContact CG2-CE2 3.99Å; V331-F338 HydrophobicContact CG2-CZ 4.23Å; V331-W358 HydrophobicContact CB-CZ2 4.47Å; V331-W358 HydrophobicContact CG1-CH2 4.17Å; V331-W358 HydrophobicContact CG1-CZ2 4.18Å; V331-W358 WeakPolarHBondContact O-CZ2 2.94Å
332N88.6Confident85.3Confident101 Ų10178.8 Ų78.854%0.5441%0.412SS..THydrogen-bonded Turntrans44.150.5-176.4-59.7-41.1000113.1V334 W358 P363N332-V334 PolarHBondContact O-N 3.5Å; N332-W358 HydrophobicContact CB-CZ2 3.87Å; N332-P363 HydrophobicContact CB-CG 4.24Å; N332-P363 WeakPolarHBondContact ND2-CB 3.23Å; N332-P363 VanDerWaalsContact ND2-CG 3.32Å; N332-P363 WeakPolarHBondContact ND2-CG 3.41Å
333N87.8Confident85.9Confident160 Ų16074 Ų7486%0.85640%0.404SS*.THydrogen-bonded Turntrans63.616.2179.5-55.2-10.5000115.7V331V331-N333 VanDerWaalsContact C-N 3.26Å; V331-N333 PolarHBondContact O-N 3.29Å
334V89.9Confident86.3Confident36 Ų3663.5 Ų63.522%0.21837%0.367CS..EExtended strand (participates in β ladder)trans-115.7128.9172.5-178.40000108.5I330 V331 N332 I336 L357 W358I330-V334 WeakPolarHBondContact CA-O 3.18Å; V331-V334 PolarHBondContact N-O 2.97Å; V331-V334 PolarHBondContact O-N 3.17Å; N332-V334 PolarHBondContact O-N 3.5Å; V334-I336 HydrophobicContact CG1-CG1 4.26Å; V334-L357 HydrophobicContact CG1-CB 4.41Å; V334-L357 HydrophobicContact CG1-CD2 3.92Å; V334-W358 HydrophobicContact CB-CZ2 4.42Å; V334-W358 HydrophobicContact CG2-CZ2 4.48Å
335E91.9Very high86.4Confident140 Ų14063.6 Ų63.665%0.65437%0.368SS*.EExtended strand (participates in β ladder)trans-76.1125.1171.8-172.6175.5-16700109.7S328S328-E335 WeakPolarHBondContact CB-OE1 3.45Å
336I90.9Very high86.2Confident7 Ų761.3 Ų61.34%0.03635%0.352CS..EExtended strand (participates in β ladder)trans-126.9126.6-178-53.2174.4000108.1S328 L329 V331 V334 F338 L357 W358 P383S328-I336 WeakPolarHBondContact CA-O 3.36Å; L329-I336 PolarHBondContact N-O 2.9Å; L329-I336 PolarHBondContact O-N 3.04Å; V331-I336 HydrophobicContact CB-CD1 3.69Å; V331-I336 HydrophobicContact CG1-CD1 4.4Å; V331-I336 HydrophobicContact CG2-CD1 3.92Å; V334-I336 HydrophobicContact CG1-CG1 4.26Å; I336-F338 HydrophobicContact CB-CD2 4.15Å; I336-F338 HydrophobicContact CB-CE2 3.63Å; I336-F338 HydrophobicContact CB-CZ 4.28Å; I336-F338 HydrophobicContact CD1-CE2 4.32Å; I336-F338 HydrophobicContact CD1-CZ 4.31Å; I336-F338 HydrophobicContact CG2-CD2 3.92Å; I336-F338 HydrophobicContact CG2-CE2 3.55Å; I336-F338 HydrophobicContact CG2-CZ 3.88Å; I336-F338 WeakPolarHBondContact O-CD2 3.43Å; I336-L357 HydrophobicContact CD1-CD1 3.54Å; I336-L357 HydrophobicContact CG1-CD1 3.85Å; I336-L357 HydrophobicContact CG1-CD2 4.16Å; I336-L357 HydrophobicContact CG2-CD1 4.38Å; I336-W358 HydrophobicContact CD1-CH2 3.75Å; I336-W358 HydrophobicContact CD1-CZ2 4.39Å; I336-W358 HydrophobicContact CD1-CZ3 4.49Å; I336-P383 HydrophobicContact CG2-CB 4.1Å; I336-P383 HydrophobicContact CG2-CG 3.74Å
337E90.3Very high86.1Confident95 Ų9560.4 Ų60.444%0.44435%0.347SS..EExtended strand (participates in β ladder)trans-80.6121.5168.8-173175.7-13900109.3T326 P383T326-E337 WeakPolarHBondContact CB-OE1 3.29Å; T326-E337 HydrophobicContact CG2-CG 4.1Å; T326-E337 PolarHBondContact OG1-OE1 3.37Å; E337-P383 WeakPolarHBondContact O-CD 3.45Å; E337-P383 WeakPolarHBondContact O-CG 3.49Å
338F89.7Confident86Confident7 Ų760.1 Ų60.13%0.03135%0.346CS..EExtended strand (participates in β ladder)trans-109.1138.2174.6-71.8-95.2000111T326 I327 L329 V331 I336 T347 I349 P383 L385T326-F338 CarbonylContact C-O 3.59Å; T326-F338 WeakPolarHBondContact CA-O 3.22Å; T326-F338 WeakPolarHBondContact CB-O 3.09Å; I327-F338 HydrophobicContact CG2-CB 4.37Å; I327-F338 PolarHBondContact N-O 3.37Å; I327-F338 PolarHBondContact O-N 3.35Å; L329-F338 HydrophobicContact CB-CD2 4.06Å; L329-F338 HydrophobicContact CB-CE2 4.05Å; L329-F338 HydrophobicContact CD1-CD2 3.83Å; L329-F338 HydrophobicContact CD1-CE2 4.11Å; L329-F338 HydrophobicContact CG-CD2 4.1Å; L329-F338 HydrophobicContact CG-CE2 4.48Å; V331-F338 HydrophobicContact CG2-CE2 3.99Å; V331-F338 HydrophobicContact CG2-CZ 4.23Å; I336-F338 HydrophobicContact CB-CD2 4.15Å; I336-F338 HydrophobicContact CB-CE2 3.63Å; I336-F338 HydrophobicContact CB-CZ 4.28Å; I336-F338 HydrophobicContact CD1-CE2 4.32Å; I336-F338 HydrophobicContact CD1-CZ 4.31Å; I336-F338 HydrophobicContact CG2-CD2 3.92Å; I336-F338 HydrophobicContact CG2-CE2 3.55Å; I336-F338 HydrophobicContact CG2-CZ 3.88Å; I336-F338 WeakPolarHBondContact O-CD2 3.43Å; F338-T347 HydrophobicContact CD1-CG2 4.02Å; F338-T347 HydrophobicContact CE1-CG2 3.46Å; F338-T347 VanDerWaalsContact CE1-CG2 3.46Å; F338-T347 HydrophobicContact CZ-CG2 4.16Å; F338-I349 HydrophobicContact CE1-CG2 4Å; F338-I349 HydrophobicContact CZ-CG2 4.31Å; F338-P383 CarbonylContact C-O 3.58Å; F338-P383 WeakPolarHBondContact CA-O 3.48Å; F338-P383 HydrophobicContact CB-CB 4.49Å; F338-P383 HydrophobicContact CD1-CB 3.29Å; F338-P383 HydrophobicContact CE1-CB 3.5Å; F338-P383 HydrophobicContact CG-CB 3.9Å; F338-P383 HydrophobicContact CZ-CB 4.28Å; F338-L385 HydrophobicContact CB-CB 3.76Å; F338-L385 HydrophobicContact CD1-CB 4.25Å; F338-L385 HydrophobicContact CG-CB 4.22Å
339E88.2Confident85.7Confident55 Ų5560 Ų6026%0.25734%0.339SS..EExtended strand (participates in β ladder)trans-76.4130.1162.7173.5172.1166.600109.9A324 D341 Q382 P383 L384 L385A324-E339 VanDerWaalsContact CB-CD 3.44Å; A324-E339 HydrophobicContact CB-CG 3.72Å; A324-E339 WeakPolarHBondContact CB-OE1 3.22Å; E339-D341 PolarHBondContact O-N 3.11Å; E339-Q382 HydrophobicContact CB-CB 4.36Å; E339-P383 PolarHBondContact N-O 3.06Å; E339-L384 HydrophobicContact CB-CD2 4.07Å; E339-L384 HydrophobicContact CG-CD2 4.13Å; E339-L384 CarbonylContact O-C 3.57Å; E339-L384 WeakPolarHBondContact O-CA 3.45Å; E339-L385 PolarHBondContact O-N 3.39Å
340I86.4Confident85.4Confident29 Ų2960.9 Ų60.915%0.14935%0.347CS..EExtended strand (participates in β ladder)trans-78.4109-179.5-59178.3000109.5T325 I327 F390 I395 L397T325-I340 HydrophobicContact CG2-CD1 3.83Å; T325-I340 PolarHBondContact O-N 2.95Å; I327-I340 HydrophobicContact CB-CD1 4.32Å; I327-I340 HydrophobicContact CB-CG1 4.47Å; I327-I340 HydrophobicContact CG2-CD1 4.2Å; I327-I340 HydrophobicContact CG2-CG1 3.92Å; I340-F390 HydrophobicContact CG2-CE1 3.87Å; I340-F390 HydrophobicContact CG2-CZ 3.75Å; I340-I395 HydrophobicContact CD1-CG2 4.41Å; I340-L397 HydrophobicContact CG2-CD2 4.02Å
341D83.9Confident85Confident45 Ų4561.9 Ų61.924%0.24135%0.349CS..  trans-106.891.2174.4-177.1-1.9000110E339 G343 S344 L384 L385E339-D341 PolarHBondContact O-N 3.11Å; D341-G343 PolarHBondContact O-N 3.15Å; D341-G343 VanDerWaalsContact OD1-CA 3.27Å; D341-G343 WeakPolarHBondContact OD1-CA 3.44Å; D341-G343 PolarHBondContact OD1-N 3.36Å; D341-S344 PolarHBondContact O-N 3.4Å; D341-S344 PolarHBondContact OD1-N 2.87Å; D341-S344 VanDerWaalsContact OD1-N 3.13Å; D341-S344 VanDerWaalsContact OD2-CB 3.24Å; D341-S344 WeakPolarHBondContact OD2-CB 3.47Å; D341-L384 HydrophobicContact CB-CB 4.39Å; D341-L384 HydrophobicContact CB-CD2 4.38Å; D341-L385 PolarHBondContact N-O 2.84Å
342S79.9Confident84.7Confident64 Ų6465.5 Ų65.545%0.44836%0.363SS..THydrogen-bonded Turntrans-66.7-13.9175.877.20000113.7R387S342-R387 WeakPolarHBondContact O-CD 3.48Å; S342-R387 WeakPolarHBondContact O-CG 3.08Å; S342-R387 PolarHBondContact O-NH1 2.85Å
343G77Confident84.6Confident53 Ų5361.3 Ų61.355%0.54634%0.34SS..THydrogen-bonded Turntrans-81-25.8174.600000113.1D341 R387D341-G343 PolarHBondContact O-N 3.15Å; D341-G343 VanDerWaalsContact OD1-CA 3.27Å; D341-G343 WeakPolarHBondContact OD1-CA 3.44Å; D341-G343 PolarHBondContact OD1-N 3.36Å; G343-R387 PolarHBondContact O-NH1 3.23Å
344S77.6Confident84.6Confident21 Ų2154.6 Ų54.615%0.14730%0.303CS..  trans-88.6138.7-179.8179.80000113.5D341 L346 G386 R387D341-S344 PolarHBondContact O-N 3.4Å; D341-S344 PolarHBondContact OD1-N 2.87Å; D341-S344 VanDerWaalsContact OD1-N 3.13Å; D341-S344 VanDerWaalsContact OD2-CB 3.24Å; D341-S344 WeakPolarHBondContact OD2-CB 3.47Å; S344-L346 PolarHBondContact OG-N 3.48Å; S344-L346 PolarHBondContact OG-O 2.82Å; S344-G386 CarbonylContact O-C 3.56Å; S344-G386 WeakPolarHBondContact O-CA 3.24Å; S344-R387 WeakPolarHBondContact O-CG 3.38Å; S344-R387 PolarHBondContact O-N 2.99Å
345A76.8Confident84.4Confident53 Ų5357.1 Ų57.144%0.43831%0.313SS..SBendtrans-80.5-21.4169.300000112.9A388A345-A388 WeakPolarHBondContact O-CB 3.39Å
346L80.5Confident84.3Confident49 Ų4956.9 Ų56.926%0.25731%0.306SS..SBendtrans-114.1148.4-171.7-61.9-179.9000111.4I306 S344 L348 L372 G386I306-L346 HydrophobicContact CD1-CD1 3.78Å; I306-L346 HydrophobicContact CG2-CD1 4.22Å; S344-L346 PolarHBondContact OG-N 3.48Å; S344-L346 PolarHBondContact OG-O 2.82Å; L346-L348 HydrophobicContact CB-CD2 4.25Å; L346-L372 HydrophobicContact CD1-CD2 3.76Å; L346-G386 WeakPolarHBondContact O-CA 3.5Å; L346-G386 PolarHBondContact O-N 2.67Å
347T85.2Confident84.2Confident43 Ų4358.3 Ų58.326%0.26431%0.313SS..  trans-93.8130.9169.3-66.40000109.1F338 L384 L385 G386 W389F338-T347 HydrophobicContact CD1-CG2 4.02Å; F338-T347 HydrophobicContact CE1-CG2 3.46Å; F338-T347 VanDerWaalsContact CE1-CG2 3.46Å; F338-T347 HydrophobicContact CZ-CG2 4.16Å; T347-L384 CarbonylContact C-O 3.49Å; T347-L384 WeakPolarHBondContact CA-O 3.4Å; T347-L384 VanDerWaalsContact CG2-O 3.27Å; T347-L384 WeakPolarHBondContact CG2-O 3.34Å; T347-L385 HydrophobicContact CG2-CD1 4.14Å; T347-G386 PolarHBondContact OG1-N 2.75Å; T347-G386 VanDerWaalsContact OG1-N 3.09Å; T347-W389 PolarHBondContact OG1-NE1 3.48Å
348L84.9Confident84.3Confident42 Ų4255 Ų5522%0.2230%0.297CS..BIsolated β-bridgetrans-126.9139.9-170.4-59.7175.5000110.7V308 L346 P383 L384V308-L348 HydrophobicContact CB-CD1 4.31Å; V308-L348 HydrophobicContact CG1-CD1 3.54Å; V308-L348 HydrophobicContact CG2-CD1 3.73Å; L346-L348 HydrophobicContact CB-CD2 4.25Å; L348-P383 CarbonylContact O-C 3.57Å; L348-P383 WeakPolarHBondContact O-CA 3.43Å; L348-L384 HydrophobicContact CB-CB 4.47Å; L348-L384 PolarHBondContact N-O 3.38Å; L348-L384 PolarHBondContact O-N 3.09Å
349I84.7Confident84.1Confident62 Ų6263.6 Ų63.632%0.31833%0.334SS..  trans-129.9140.9165.553.5173.7000107.7F338 F354 W358 P383F338-I349 HydrophobicContact CE1-CG2 4Å; F338-I349 HydrophobicContact CZ-CG2 4.31Å; I349-F354 HydrophobicContact CD1-CB 4.04Å; I349-F354 HydrophobicContact CD1-CD2 3.77Å; I349-F354 HydrophobicContact CD1-CG 4.38Å; I349-W358 HydrophobicContact CD1-CZ3 4.04Å; I349-P383 HydrophobicContact CG2-CB 3.84Å; I349-P383 HydrophobicContact CG2-CG 4.19Å
350S82.1Confident83.7Confident40 Ų4063.9 Ų63.928%0.2835%0.351SS..  trans-68.3154.7176.4710000110.9E352 M353 F354S350-E352 PolarHBondContact O-N 3.15Å; S350-M353 WeakPolarHBondContact O-CB 3.27Å; S350-M353 PolarHBondContact O-N 2.85Å; S350-M353 VanDerWaalsContact OG-CB 3.24Å; S350-M353 WeakPolarHBondContact OG-CB 3.17Å; S350-M353 PolarHBondContact OG-N 3.31Å; S350-F354 PolarHBondContact O-N 3.42Å
351Q81.8Confident83.7Confident154 Ų15469.3 Ų69.372%0.7238%0.381SS*.Hα-helixtrans-56.7-40.7174-178.9178.5-10.900111.1F354 H355Q351-F354 PolarHBondContact O-N 2.71Å; Q351-H355 PolarHBondContact O-N 2.77Å; Q351-H355 VanDerWaalsContact O-N 3.1Å; Q351-H355 PolarHBondContact O-ND1 3.08Å
352E81.1Confident83.9Confident119 Ų11970.7 Ų70.756%0.55639%0.388SS*.Hα-helixtrans-60.8-47.1176.7-172.1-174.5165.600111.7S350 F354 H355 R356S350-E352 PolarHBondContact O-N 3.15Å; E352-F354 PolarHBondContact O-N 2.79Å; E352-H355 PolarHBondContact O-N 2.95Å; E352-R356 WeakPolarHBondContact O-CB 3.33Å; E352-R356 PolarHBondContact O-N 2.82Å
353M85.3Confident84.3Confident13 Ų1369 Ų696%0.06438%0.375CS..Hα-helixtrans-60.8-44.5176.1-175.174.67000111.4S350 H355 R356 L357 P383S350-M353 WeakPolarHBondContact O-CB 3.27Å; S350-M353 PolarHBondContact O-N 2.85Å; S350-M353 VanDerWaalsContact OG-CB 3.24Å; S350-M353 WeakPolarHBondContact OG-CB 3.17Å; S350-M353 PolarHBondContact OG-N 3.31Å; M353-H355 VanDerWaalsContact C-N 3.34Å; M353-H355 PolarHBondContact O-N 2.82Å; M353-R356 PolarHBondContact O-N 3.2Å; M353-R356 VanDerWaalsContact O-N 3.12Å; M353-R356 PolarHBondContact SD-NH2 2.92Å; M353-L357 HydrophobicContact CG-CD1 3.62Å; M353-L357 HydrophobicContact CG-CG 4Å; M353-L357 WeakPolarHBondContact O-CB 3.22Å; M353-L357 VanDerWaalsContact O-CG 3.27Å; M353-L357 WeakPolarHBondContact O-CG 3.43Å; M353-L357 PolarHBondContact O-N 2.89Å; M353-L357 HydrophobicContact SD-CD1 4.22Å; M353-L357 HydrophobicContact SD-CD2 4.38Å; M353-L357 HydrophobicContact SD-CG 4.12Å; M353-P383 HydrophobicContact CE-CG 3.92Å; M353-P383 HydrophobicContact CG-CG 4.3Å; M353-P383 HydrophobicContact SD-CG 4.47Å
354F87.8Confident84.7Confident20 Ų2071.4 Ų71.49%0.08839%0.39CS..Hα-helixtrans-57-46.2178.1178.2-105.4000112I349 S350 Q351 E352 R356 W358 L362 P363 L365I349-F354 HydrophobicContact CD1-CB 4.04Å; I349-F354 HydrophobicContact CD1-CD2 3.77Å; I349-F354 HydrophobicContact CD1-CG 4.38Å; S350-F354 PolarHBondContact O-N 3.42Å; Q351-F354 PolarHBondContact O-N 2.71Å; E352-F354 PolarHBondContact O-N 2.79Å; F354-R356 VanDerWaalsContact C-N 3.34Å; F354-R356 PolarHBondContact O-N 3.17Å; F354-W358 AromaticContact CD2-CE3 3.74Å; F354-W358 HydrophobicContact CD2-CE3 3.74Å; F354-W358 AromaticContact CD2-CZ3 3.73Å; F354-W358 HydrophobicContact CD2-CZ3 3.73Å; F354-W358 HydrophobicContact CE2-CE3 4.02Å; F354-W358 HydrophobicContact CE2-CZ3 4.2Å; F354-W358 PolarHBondContact O-N 3.04Å; F354-L362 HydrophobicContact CD1-CD2 4.15Å; F354-L362 HydrophobicContact CE1-CB 4.03Å; F354-L362 HydrophobicContact CE1-CD1 4.07Å; F354-L362 HydrophobicContact CE1-CD2 3.79Å; F354-L362 HydrophobicContact CE1-CG 4.17Å; F354-L362 HydrophobicContact CZ-CB 4Å; F354-L362 HydrophobicContact CZ-CD2 4.27Å; F354-P363 HydrophobicContact CE2-CB 4.41Å; F354-P363 HydrophobicContact CE2-CG 4.17Å; F354-L365 HydrophobicContact CE1-CD1 3.87Å; F354-L365 HydrophobicContact CE1-CD2 4.44Å; F354-L365 HydrophobicContact CE1-CG 4.31Å; F354-L365 HydrophobicContact CE2-CD2 3.83Å; F354-L365 HydrophobicContact CE2-CG 4.48Å; F354-L365 HydrophobicContact CZ-CD1 3.91Å; F354-L365 HydrophobicContact CZ-CD2 3.69Å; F354-L365 HydrophobicContact CZ-CG 3.84Å
355H87.4Confident85.1Confident89 Ų8976.8 Ų76.841%0.41242%0.417SS..Hα-helixtrans-67.7-36.3176.6-69.983.6000112.1Q351 E352 M353 K359Q351-H355 PolarHBondContact O-N 2.77Å; Q351-H355 VanDerWaalsContact O-N 3.1Å; Q351-H355 PolarHBondContact O-ND1 3.08Å; E352-H355 PolarHBondContact O-N 2.95Å; M353-H355 VanDerWaalsContact C-N 3.34Å; M353-H355 PolarHBondContact O-N 2.82Å; H355-K359 PolarHBondContact O-N 3.47Å
356R88.2Confident85.5Confident134 Ų13485.8 Ų85.851%0.50644%0.439SS..Hα-helixtrans-67.6-42179.3-176.2170.167.7-149.714.1113.2E352 M353 F354 K359E352-R356 WeakPolarHBondContact O-CB 3.33Å; E352-R356 PolarHBondContact O-N 2.82Å; M353-R356 PolarHBondContact O-N 3.2Å; M353-R356 VanDerWaalsContact O-N 3.12Å; M353-R356 PolarHBondContact SD-NH2 2.92Å; F354-R356 VanDerWaalsContact C-N 3.34Å; F354-R356 PolarHBondContact O-N 3.17Å; R356-K359 WeakPolarHBondContact O-CG 3.5Å
357L89.9Confident85.4Confident38 Ų3893.4 Ų93.420%0.19947%0.47CS..Hα-helixtrans-69-39.2-176.3-72.9171.3000112.3V334 I336 M353V334-L357 HydrophobicContact CG1-CB 4.41Å; V334-L357 HydrophobicContact CG1-CD2 3.92Å; I336-L357 HydrophobicContact CD1-CD1 3.54Å; I336-L357 HydrophobicContact CG1-CD1 3.85Å; I336-L357 HydrophobicContact CG1-CD2 4.16Å; I336-L357 HydrophobicContact CG2-CD1 4.38Å; M353-L357 HydrophobicContact CG-CD1 3.62Å; M353-L357 HydrophobicContact CG-CG 4Å; M353-L357 WeakPolarHBondContact O-CB 3.22Å; M353-L357 VanDerWaalsContact O-CG 3.27Å; M353-L357 WeakPolarHBondContact O-CG 3.43Å; M353-L357 PolarHBondContact O-N 2.89Å; M353-L357 HydrophobicContact SD-CD1 4.22Å; M353-L357 HydrophobicContact SD-CD2 4.38Å; M353-L357 HydrophobicContact SD-CG 4.12Å
358W91.5Very high84.7Confident25 Ų2594.7 Ų94.710%0.09548%0.481CS..Hα-helixtrans-106.2-1.4-174.2-76.1-81.3000115.3V331 N332 V334 I336 I349 F354 G360 N361 L362 P363V331-W358 HydrophobicContact CB-CZ2 4.47Å; V331-W358 HydrophobicContact CG1-CH2 4.17Å; V331-W358 HydrophobicContact CG1-CZ2 4.18Å; V331-W358 WeakPolarHBondContact O-CZ2 2.94Å; N332-W358 HydrophobicContact CB-CZ2 3.87Å; V334-W358 HydrophobicContact CB-CZ2 4.42Å; V334-W358 HydrophobicContact CG2-CZ2 4.48Å; I336-W358 HydrophobicContact CD1-CH2 3.75Å; I336-W358 HydrophobicContact CD1-CZ2 4.39Å; I336-W358 HydrophobicContact CD1-CZ3 4.49Å; I349-W358 HydrophobicContact CD1-CZ3 4.04Å; F354-W358 AromaticContact CD2-CE3 3.74Å; F354-W358 HydrophobicContact CD2-CE3 3.74Å; F354-W358 AromaticContact CD2-CZ3 3.73Å; F354-W358 HydrophobicContact CD2-CZ3 3.73Å; F354-W358 HydrophobicContact CE2-CE3 4.02Å; F354-W358 HydrophobicContact CE2-CZ3 4.2Å; F354-W358 PolarHBondContact O-N 3.04Å; W358-G360 PolarHBondContact O-N 3.46Å; W358-N361 WeakPolarHBondContact CB-O 3.31Å; W358-N361 PolarHBondContact O-N 2.81Å; W358-L362 HydrophobicContact CB-CD2 3.96Å; W358-P363 VanDerWaalsContact CD2-CD 3.5Å; W358-P363 HydrophobicContact CD2-CG 3.6Å; W358-P363 VanDerWaalsContact CE2-CG 3.46Å; W358-P363 HydrophobicContact CE3-CG 4.19Å; W358-P363 HydrophobicContact CG-CG 3.86Å; W358-P363 HydrophobicContact CZ2-CG 3.97Å
359K85.9Confident84.2Confident188 Ų18898.7 Ų98.782%0.81751%0.507SS*.THydrogen-bonded Turntrans41.640.6168.7-59.4-175.4-178.8176.60115.1H355 R356H355-K359 PolarHBondContact O-N 3.47Å; R356-K359 WeakPolarHBondContact O-CG 3.5Å
360G80.1Confident83.2Confident60 Ų60101.8 Ų101.862%0.61952%0.515SS*.THydrogen-bonded Turntrans98.9-21.6-179.500000115.9W358 L362W358-G360 PolarHBondContact O-N 3.46Å; G360-L362 PolarHBondContact O-N 3.12Å; G360-L362 VanDerWaalsContact O-N 3.09Å
361N87.1Confident82.4Confident144 Ų144105.8 Ų105.877%0.7753%0.533SS*.  trans-86.858.2171.1-71.6-25.5000110.8W358W358-N361 WeakPolarHBondContact CB-O 3.31Å; W358-N361 PolarHBondContact O-N 2.81Å
362L88.1Confident81.4Confident73 Ų73101.2 Ų101.238%0.38251%0.513SS..PPolyproline II helixtrans-69130.3-169.5-58.3178.2000111.8F354 W358 G360F354-L362 HydrophobicContact CD1-CD2 4.15Å; F354-L362 HydrophobicContact CE1-CB 4.03Å; F354-L362 HydrophobicContact CE1-CD1 4.07Å; F354-L362 HydrophobicContact CE1-CD2 3.79Å; F354-L362 HydrophobicContact CE1-CG 4.17Å; F354-L362 HydrophobicContact CZ-CB 4Å; F354-L362 HydrophobicContact CZ-CD2 4.27Å; W358-L362 HydrophobicContact CB-CD2 3.96Å; G360-L362 PolarHBondContact O-N 3.12Å; G360-L362 VanDerWaalsContact O-N 3.09Å
363P87.1Confident80.3Confident28 Ų2899.2 Ų99.218%0.18251%0.507CS..PPolyproline II helixtrans-56.5145.5170.3-2532.7000111.8N332 F354 W358 L365N332-P363 HydrophobicContact CB-CG 4.24Å; N332-P363 WeakPolarHBondContact ND2-CB 3.23Å; N332-P363 VanDerWaalsContact ND2-CG 3.32Å; N332-P363 WeakPolarHBondContact ND2-CG 3.41Å; F354-P363 HydrophobicContact CE2-CB 4.41Å; F354-P363 HydrophobicContact CE2-CG 4.17Å; W358-P363 VanDerWaalsContact CD2-CD 3.5Å; W358-P363 HydrophobicContact CD2-CG 3.6Å; W358-P363 VanDerWaalsContact CE2-CG 3.46Å; W358-P363 HydrophobicContact CE3-CG 4.19Å; W358-P363 HydrophobicContact CG-CG 3.86Å; W358-P363 HydrophobicContact CZ2-CG 3.97Å; P363-L365 PolarHBondContact O-N 3.18Å
364A87Confident78.9Confident104 Ų104103.7 Ų103.786%0.8653%0.53SS*.PPolyproline II helixtrans-62.7121.3176.600000110.9
365L85.5Confident77.3Confident135 Ų135108.3 Ų108.371%0.70755%0.55SS**PPolyproline II helixtrans-91.4139.1177.1-61.9179.7000110.8F354 P363F354-L365 HydrophobicContact CE1-CD1 3.87Å; F354-L365 HydrophobicContact CE1-CD2 4.44Å; F354-L365 HydrophobicContact CE1-CG 4.31Å; F354-L365 HydrophobicContact CE2-CD2 3.83Å; F354-L365 HydrophobicContact CE2-CG 4.48Å; F354-L365 HydrophobicContact CZ-CD1 3.91Å; F354-L365 HydrophobicContact CZ-CD2 3.69Å; F354-L365 HydrophobicContact CZ-CG 3.84Å; P363-L365 PolarHBondContact O-N 3.18Å
366R83.6Confident75.7Confident242 Ų242108.7 Ų108.791%0.91356%0.558SS**PPolyproline II helixtrans-103.9132167.6-67.8-174.4-179.6-1680.5109S368R366-S368 PolarHBondContact O-N 2.78Å
367K78.8Confident73.6Confident208 Ų208107.1 Ų107.190%0.90456%0.559SS**PPolyproline II helixtrans-64.3128.9177.1-167.8174.8-179.8-178.90109.7
368S71.1Confident71.4Confident70 Ų70116.4 Ų116.449%0.4959%0.592SS.*PPolyproline II helixtrans-71.9146.4172.6175.70000110.2R366 R370R366-S368 PolarHBondContact O-N 2.78Å; S368-R370 VanDerWaalsContact C-N 3.26Å; S368-R370 PolarHBondContact OG-N 3.5Å; S368-R370 PolarHBondContact OG-O 2.84Å; S368-R370 VanDerWaalsContact OG-O 3.09Å
369T74.7Confident69.6Low126 Ų126123.9 Ų123.977%0.77363%0.625SS**SBendtrans-83.7-4168.3530000112.9
370R62.9Low68.2Low128 Ų128116 Ų11648%0.48360%0.597SS.*SBendtrans-106.1134.2179.9-55.9-176.1178.6170.9-3110.1S368S368-R370 VanDerWaalsContact C-N 3.26Å; S368-R370 PolarHBondContact OG-N 3.5Å; S368-R370 PolarHBondContact OG-O 2.84Å; S368-R370 VanDerWaalsContact OG-O 3.09Å
371D65.6Low67.5Low124 Ų124114 Ų11466%0.66358%0.577SS**EExtended strand (participates in β ladder)trans-88131.2169.4-67.2-34.9000108.6I306I306-D371 PolarHBondContact N-O 2.75Å
372L61.6Low66.9Low57 Ų57112 Ų11230%0.29856%0.563SS.*EExtended strand (participates in β ladder)trans-103.6117178.8-74.1158.7000107.2I306 V308 L346 I374I306-L372 HydrophobicContact CB-CD2 3.5Å; I306-L372 VanDerWaalsContact CB-CD2 3.5Å; I306-L372 HydrophobicContact CD1-CD2 4.39Å; I306-L372 HydrophobicContact CG2-CD2 3.47Å; I306-L372 VanDerWaalsContact CG2-CD2 3.47Å; I306-L372 WeakPolarHBondContact O-CA 3.24Å; V308-L372 HydrophobicContact CG2-CD2 4.03Å; L346-L372 HydrophobicContact CD1-CD2 3.76Å; L372-I374 HydrophobicContact CB-CG1 4.05Å; L372-I374 VanDerWaalsContact O-CG1 3.31Å; L372-I374 WeakPolarHBondContact O-CG1 3.41Å; L372-I374 PolarHBondContact O-N 3.03Å; L372-I374 VanDerWaalsContact O-N 3.17Å
373D57.1Low66.7Low78 Ų78108.6 Ų108.642%0.41755%0.545SS..EExtended strand (participates in β ladder)trans-78.499.6169.7-70-41.4000107.4S305 I306 V308 F375S305-D373 WeakPolarHBondContact CB-OD2 3.29Å; I306-D373 PolarHBondContact O-N 3.36Å; V308-D373 PolarHBondContact N-O 2.86Å; D373-F375 HydrophobicContact CB-CE2 4.16Å
374I55.8Low66.6Low106 Ų106107.9 Ų107.954%0.54454%0.54SS..EExtended strand (participates in β ladder)trans-94110.8-172.5-37.6-176.3000110.2V308 L372 V376V308-I374 HydrophobicContact CB-CG2 4.13Å; V308-I374 HydrophobicContact CG1-CG2 4.34Å; L372-I374 HydrophobicContact CB-CG1 4.05Å; L372-I374 VanDerWaalsContact O-CG1 3.31Å; L372-I374 WeakPolarHBondContact O-CG1 3.41Å; L372-I374 PolarHBondContact O-N 3.03Å; L372-I374 VanDerWaalsContact O-N 3.17Å; I374-V376 HydrophobicContact CB-CG2 4.22Å; I374-V376 HydrophobicContact CG2-CG2 3.17Å
375F53.8Low66.5Low118 Ų118102.9 Ų102.952%0.51850%0.499SS..EExtended strand (participates in β ladder)trans-98.382.8167.9-63.6-88.3000108.9M307 V308 F309 D373M307-F375 HydrophobicContact CE-CD2 4.16Å; M307-F375 HydrophobicContact CE-CE2 3.56Å; M307-F375 HydrophobicContact CE-CZ 4.31Å; V308-F375 PolarHBondContact O-N 3.45Å; V308-F375 VanDerWaalsContact O-N 3.08Å; F309-F375 HydrophobicContact CD1-CB 4.32Å; F309-F375 HydrophobicContact CE1-CD2 4.22Å; D373-F375 HydrophobicContact CB-CE2 4.16Å
376V53.6Low66.4Low97 Ų9796.5 Ų96.559%0.58847%0.465SS*.PPolyproline II helixtrans-85.8116.2178.3-171.50000110.6I374I374-V376 HydrophobicContact CB-CG2 4.22Å; I374-V376 HydrophobicContact CG2-CG2 3.17Å
377L45.4Very low66.4Low100 Ų10090.8 Ų90.852%0.52444%0.444SS..PPolyproline II helixtrans-69.9136.8163.1-80.4165.7000110N310N310-L377 WeakPolarHBondContact O-CD1 3.44Å
378R43Very low66.5Low234 Ų23484 Ų8488%0.88343%0.427SS*.SBendtrans-46.2143.4-169.7-80179.1170.3175.2-2.9113.8
379K53.5Low67.1Low181 Ų18186.3 Ų86.379%0.78743%0.425SS*.SBendtrans93.127171.1-53.2176179.7168.60118.5
380G57.2Low67.3Low23 Ų2381.7 Ų81.724%0.23739%0.394CS..  trans58.365.8163.100000113.8
381G65.3Low67.6Low19 Ų1983.2 Ų83.220%0.19640%0.399CS..PPolyproline II helixtrans-55171.6-175.900000115.5
382Q74.7Confident68.2Low100 Ų10081.9 Ų81.947%0.46740%0.398SS..PPolyproline II helixtrans-59.3151-177.3-68.9-64.9-7.100112.2E339 L384E339-Q382 HydrophobicContact CB-CB 4.36Å; Q382-L384 PolarHBondContact O-N 2.98Å
383P83.6Confident69.1Low2 Ų282.2 Ų82.21%0.01340%0.399CS..PPolyproline II helixtrans-53.4133.4167.5-26.138.9000110.7I336 E337 F338 E339 L348 I349 M353I336-P383 HydrophobicContact CG2-CB 4.1Å; I336-P383 HydrophobicContact CG2-CG 3.74Å; E337-P383 WeakPolarHBondContact O-CD 3.45Å; E337-P383 WeakPolarHBondContact O-CG 3.49Å; F338-P383 CarbonylContact C-O 3.58Å; F338-P383 WeakPolarHBondContact CA-O 3.48Å; F338-P383 HydrophobicContact CB-CB 4.49Å; F338-P383 HydrophobicContact CD1-CB 3.29Å; F338-P383 HydrophobicContact CE1-CB 3.5Å; F338-P383 HydrophobicContact CG-CB 3.9Å; F338-P383 HydrophobicContact CZ-CB 4.28Å; E339-P383 PolarHBondContact N-O 3.06Å; L348-P383 CarbonylContact O-C 3.57Å; L348-P383 WeakPolarHBondContact O-CA 3.43Å; I349-P383 HydrophobicContact CG2-CB 3.84Å; I349-P383 HydrophobicContact CG2-CG 4.19Å; M353-P383 HydrophobicContact CE-CG 3.92Å; M353-P383 HydrophobicContact CG-CG 4.3Å; M353-P383 HydrophobicContact SD-CG 4.47Å
384L84.7Confident70.1Confident13 Ų1385.6 Ų85.67%0.06842%0.417CS..EExtended strand (participates in β ladder)trans-104.4127.5178.9-62.1179.4000110E339 D341 T347 L348 Q382E339-L384 HydrophobicContact CB-CD2 4.07Å; E339-L384 HydrophobicContact CG-CD2 4.13Å; E339-L384 CarbonylContact O-C 3.57Å; E339-L384 WeakPolarHBondContact O-CA 3.45Å; D341-L384 HydrophobicContact CB-CB 4.39Å; D341-L384 HydrophobicContact CB-CD2 4.38Å; T347-L384 CarbonylContact C-O 3.49Å; T347-L384 WeakPolarHBondContact CA-O 3.4Å; T347-L384 VanDerWaalsContact CG2-O 3.27Å; T347-L384 WeakPolarHBondContact CG2-O 3.34Å; L348-L384 HydrophobicContact CB-CB 4.47Å; L348-L384 PolarHBondContact N-O 3.38Å; L348-L384 PolarHBondContact O-N 3.09Å; Q382-L384 PolarHBondContact O-N 2.98Å
385L85.3Confident70.9Confident0 Ų082 Ų820%040%0.399CS..EExtended strand (participates in β ladder)trans-94.7106.4173.2-171.269.9000110.1I327 L329 F338 E339 D341 T347 W389 F390 L393 I395I327-L385 HydrophobicContact CG2-CD2 3.52Å; L329-L385 HydrophobicContact CD1-CD1 3.6Å; L329-L385 HydrophobicContact CD1-CD2 4.01Å; L329-L385 HydrophobicContact CD1-CG 4.45Å; F338-L385 HydrophobicContact CB-CB 3.76Å; F338-L385 HydrophobicContact CD1-CB 4.25Å; F338-L385 HydrophobicContact CG-CB 4.22Å; E339-L385 PolarHBondContact O-N 3.39Å; D341-L385 PolarHBondContact N-O 2.84Å; T347-L385 HydrophobicContact CG2-CD1 4.14Å; L385-W389 HydrophobicContact CD1-CB 3.58Å; L385-W389 HydrophobicContact CD1-CD2 4.49Å; L385-W389 HydrophobicContact CD1-CG 3.75Å; L385-W389 HydrophobicContact CG-CB 4.15Å; L385-F390 HydrophobicContact CG-CE1 4.47Å; L385-L393 HydrophobicContact CD1-CD1 4.46Å; L385-L393 HydrophobicContact CD2-CD1 4.22Å; L385-I395 HydrophobicContact CD2-CD1 3.6Å
386G83.6Confident71.7Confident0 Ų079.8 Ų79.80%041%0.41CS..  trans-80.5167.4177.100000113.5S344 L346 T347 A388 W389S344-G386 CarbonylContact O-C 3.56Å; S344-G386 WeakPolarHBondContact O-CA 3.24Å; L346-G386 WeakPolarHBondContact O-CA 3.5Å; L346-G386 PolarHBondContact O-N 2.67Å; T347-G386 PolarHBondContact OG1-N 2.75Å; T347-G386 VanDerWaalsContact OG1-N 3.09Å; G386-A388 PolarHBondContact O-N 2.97Å; G386-W389 PolarHBondContact O-N 2.85Å
387R83.9Confident72.2Confident123 Ų12379.1 Ų79.146%0.46440%0.402SS..G310 helixtrans-55.1-25.8-176.8-67.1-170.9-67.1-93-3.9115.2S342 G343 S344 W389 F390S342-R387 WeakPolarHBondContact O-CD 3.48Å; S342-R387 WeakPolarHBondContact O-CG 3.08Å; S342-R387 PolarHBondContact O-NH1 2.85Å; G343-R387 PolarHBondContact O-NH1 3.23Å; S344-R387 WeakPolarHBondContact O-CG 3.38Å; S344-R387 PolarHBondContact O-N 2.99Å; R387-W389 PolarHBondContact O-N 3.12Å; R387-W389 VanDerWaalsContact O-N 3.1Å; R387-F390 HydrophobicContact CB-CD2 4.2Å; R387-F390 HydrophobicContact CB-CE2 4.13Å; R387-F390 HydrophobicContact CG-CD2 4.14Å; R387-F390 HydrophobicContact CG-CE2 3.65Å; R387-F390 HydrophobicContact CG-CZ 4.18Å; R387-F390 PolarHBondContact O-N 3.35Å; R387-F390 VanDerWaalsContact O-N 3.13Å
388A80.7Confident73Confident66 Ų6682.1 Ų82.155%0.54541%0.413SS..G310 helixtrans-57.5-25.4-179.700000113.2A345 G386 P392A345-A388 WeakPolarHBondContact O-CB 3.39Å; G386-A388 PolarHBondContact O-N 2.97Å; A388-P392 WeakPolarHBondContact O-CD 3.44Å
389W82.4Confident73.9Confident118 Ų11875.2 Ų75.245%0.44740%0.397SS..G310 helixtrans-95-7.4-178.3-70.483.2000114.5T347 L385 G386 R387 R391 P392 L393T347-W389 PolarHBondContact OG1-NE1 3.48Å; L385-W389 HydrophobicContact CD1-CB 3.58Å; L385-W389 HydrophobicContact CD1-CD2 4.49Å; L385-W389 HydrophobicContact CD1-CG 3.75Å; L385-W389 HydrophobicContact CG-CB 4.15Å; G386-W389 PolarHBondContact O-N 2.85Å; R387-W389 PolarHBondContact O-N 3.12Å; R387-W389 VanDerWaalsContact O-N 3.1Å; W389-R391 VanDerWaalsContact C-N 3.31Å; W389-R391 PolarHBondContact O-N 2.89Å; W389-P392 WeakPolarHBondContact O-CD 3.36Å; W389-L393 HydrophobicContact CB-CD1 3.86Å; W389-L393 HydrophobicContact CB-CG 4.49Å; W389-L393 HydrophobicContact CE3-CD1 4.15Å; W389-L393 HydrophobicContact CE3-CG 4.29Å; W389-L393 VanDerWaalsContact O-CB 3.29Å; W389-L393 WeakPolarHBondContact O-CB 3.32Å; W389-L393 VanDerWaalsContact O-CG 3.32Å; W389-L393 WeakPolarHBondContact O-CG 3.27Å; W389-L393 PolarHBondContact O-N 3.4Å; W389-L393 VanDerWaalsContact O-N 3.16Å
390F78.9Confident73.6Confident28 Ų2868.3 Ų68.312%0.12337%0.371CS..THydrogen-bonded Turntrans-65.9-35.6-176.5-63.8-4.5000112.2I340 L385 R387 N394 I395 L397I340-F390 HydrophobicContact CG2-CE1 3.87Å; I340-F390 HydrophobicContact CG2-CZ 3.75Å; L385-F390 HydrophobicContact CG-CE1 4.47Å; R387-F390 HydrophobicContact CB-CD2 4.2Å; R387-F390 HydrophobicContact CB-CE2 4.13Å; R387-F390 HydrophobicContact CG-CD2 4.14Å; R387-F390 HydrophobicContact CG-CE2 3.65Å; R387-F390 HydrophobicContact CG-CZ 4.18Å; R387-F390 PolarHBondContact O-N 3.35Å; R387-F390 VanDerWaalsContact O-N 3.13Å; F390-N394 PolarHBondContact O-N 3.36Å; F390-I395 HydrophobicContact CB-CB 4.49Å; F390-I395 HydrophobicContact CD1-CB 4.48Å; F390-I395 HydrophobicContact CD1-CD1 4.37Å; F390-I395 PolarHBondContact O-N 3.1Å; F390-L397 HydrophobicContact CD2-CD1 3.98Å; F390-L397 HydrophobicContact CE2-CD1 3.28Å; F390-L397 HydrophobicContact CE2-CG 4.18Å; F390-L397 HydrophobicContact CZ-CD1 3.83Å
391R70.1Confident73.5Confident161 Ų16171.7 Ų71.761%0.60840%0.396SS*.THydrogen-bonded Turntrans-72.7-54177.3-65.9-176.1-167143.69.1112.9Y90 W389 L393 N394Y90-R391 PolarHBondContact OH-NH1 2.97Å; Y90-R391 VanDerWaalsContact OH-NH1 3.1Å; W389-R391 VanDerWaalsContact C-N 3.31Å; W389-R391 PolarHBondContact O-N 2.89Å; R391-L393 PolarHBondContact O-N 3.17Å; R391-N394 PolarHBondContact O-N 3.31Å
392P78.8Confident73.4Confident96 Ų9678 Ų7862%0.62342%0.42SS*.THydrogen-bonded Turntrans-58.2-32.2179.4-25.534.6000113.8A388 W389A388-P392 WeakPolarHBondContact O-CD 3.44Å; W389-P392 WeakPolarHBondContact O-CD 3.36Å
393L79.1Confident71.9Confident63 Ų6378 Ų7833%0.3342%0.421SS..THydrogen-bonded Turntrans-94.91.5-176.4-60.1174.5000113.8L329 L385 W389 R391 I395L329-L393 HydrophobicContact CD1-CD1 3.54Å; L329-L393 HydrophobicContact CD2-CD1 3.59Å; L329-L393 HydrophobicContact CD2-CD2 4.01Å; L329-L393 HydrophobicContact CD2-CG 4.41Å; L329-L393 HydrophobicContact CG-CD1 4.24Å; L385-L393 HydrophobicContact CD1-CD1 4.46Å; L385-L393 HydrophobicContact CD2-CD1 4.22Å; W389-L393 HydrophobicContact CB-CD1 3.86Å; W389-L393 HydrophobicContact CB-CG 4.49Å; W389-L393 HydrophobicContact CE3-CD1 4.15Å; W389-L393 HydrophobicContact CE3-CG 4.29Å; W389-L393 VanDerWaalsContact O-CB 3.29Å; W389-L393 WeakPolarHBondContact O-CB 3.32Å; W389-L393 VanDerWaalsContact O-CG 3.32Å; W389-L393 WeakPolarHBondContact O-CG 3.27Å; W389-L393 PolarHBondContact O-N 3.4Å; W389-L393 VanDerWaalsContact O-N 3.16Å; R391-L393 PolarHBondContact O-N 3.17Å; L393-I395 HydrophobicContact CB-CD1 3.64Å; L393-I395 HydrophobicContact CB-CG1 3.68Å; L393-I395 HydrophobicContact CD1-CD1 3.71Å; L393-I395 HydrophobicContact CG-CD1 4.35Å; L393-I395 PolarHBondContact O-N 2.75Å
394N79.3Confident69.9Low150 Ų15082.7 Ų82.780%0.80245%0.449SS*.THydrogen-bonded Turntrans52.538.4-176.6-165.441.5000113.3F390 R391 G396F390-N394 PolarHBondContact O-N 3.36Å; R391-N394 PolarHBondContact O-N 3.31Å; N394-G396 PolarHBondContact O-N 3.21Å
395I73.2Confident67.8Low29 Ų2987 Ų8715%0.14948%0.48CS..  trans-84.1111.7179.7-60.2167.5000108.3I327 I340 L385 F390 L393I327-I395 HydrophobicContact CD1-CD1 3.67Å; I327-I395 HydrophobicContact CD1-CG1 3.94Å; I340-I395 HydrophobicContact CD1-CG2 4.41Å; L385-I395 HydrophobicContact CD2-CD1 3.6Å; F390-I395 HydrophobicContact CB-CB 4.49Å; F390-I395 HydrophobicContact CD1-CB 4.48Å; F390-I395 HydrophobicContact CD1-CD1 4.37Å; F390-I395 PolarHBondContact O-N 3.1Å; L393-I395 HydrophobicContact CB-CD1 3.64Å; L393-I395 HydrophobicContact CB-CG1 3.68Å; L393-I395 HydrophobicContact CD1-CD1 3.71Å; L393-I395 HydrophobicContact CG-CD1 4.35Å; L393-I395 PolarHBondContact O-N 2.75Å
396G68.9Low65.6Low73 Ų7391.6 Ų91.675%0.75352%0.518SS*.  trans-91.5117.2171.700000111.1N394 H398N394-G396 PolarHBondContact O-N 3.21Å; G396-H398 PolarHBondContact O-N 3.44Å
397L64.3Low63.2Low82 Ų8297 Ų9743%0.42956%0.556SS.*  trans-86.5108.6170.1-72.1176.5000109.8I340 F390I340-L397 HydrophobicContact CG2-CD2 4.02Å; F390-L397 HydrophobicContact CD2-CD1 3.98Å; F390-L397 HydrophobicContact CE2-CD1 3.28Å; F390-L397 HydrophobicContact CE2-CG 4.18Å; F390-L397 HydrophobicContact CZ-CD1 3.83Å
398H63.5Low60.8Low164 Ų16496.2 Ų96.276%0.75957%0.569SS**  trans-91.599.6171.8-174.2-73.7000108.9G396 P400G396-H398 PolarHBondContact O-N 3.44Å; H398-P400 VanDerWaalsContact O-CD 3.25Å; H398-P400 WeakPolarHBondContact O-CD 3.4Å
399V60.4Low58.8Low89 Ų89101.5 Ų101.554%0.53958%0.583SS.*  trans-78.3113.8172.2-170.90000107.8A401 Q403 V404V399-A401 PolarHBondContact O-N 3.05Å; V399-Q403 HydrophobicContact CG1-CB 4.34Å; V399-V404 HydrophobicContact CB-CG2 4.28Å; V399-V404 HydrophobicContact CG1-CG2 3.43Å; V399-V404 VanDerWaalsContact CG1-CG2 3.43Å
400P48.1Very low56.5Low36 Ų36109.1 Ų109.123%0.23461%0.611CS.*  trans-59.3136.7178.3-20.633.2000110.1H398 H402 Q403H398-P400 VanDerWaalsContact O-CD 3.25Å; H398-P400 WeakPolarHBondContact O-CD 3.4Å; P400-H402 WeakPolarHBondContact CB-CE1 3.4Å; P400-H402 VanDerWaalsContact CB-ND1 3.34Å; P400-H402 WeakPolarHBondContact CB-ND1 3.49Å; P400-H402 PolarHBondContact O-N 3.49Å; P400-Q403 HydrophobicContact CB-CG 4.35Å; P400-Q403 HydrophobicContact CG-CG 4.36Å; P400-Q403 PolarHBondContact O-N 3.22Å
401A53.8Low55.4Low94 Ų94113.2 Ų113.278%0.77764%0.636SS**THydrogen-bonded Turntrans-56.4-21.5-176.400000114.1V399V399-A401 PolarHBondContact O-N 3.05Å
402H63.2Low54.6Low150 Ų150110.7 Ų110.769%0.69464%0.637SS**THydrogen-bonded Turntrans-79.8-15.3176.166.7-95.6000114.2P400P400-H402 WeakPolarHBondContact CB-CE1 3.4Å; P400-H402 VanDerWaalsContact CB-ND1 3.34Å; P400-H402 WeakPolarHBondContact CB-ND1 3.49Å; P400-H402 PolarHBondContact O-N 3.49Å
403Q44.1Very low53.3Low102 Ų102111.5 Ų111.548%0.47764%0.638SS.*SBendtrans-93-5.2177.8-64.7-168.3-12.100112.9V399 P400V399-Q403 HydrophobicContact CG1-CB 4.34Å; P400-Q403 HydrophobicContact CB-CG 4.35Å; P400-Q403 HydrophobicContact CG-CG 4.36Å; P400-Q403 PolarHBondContact O-N 3.22Å
404V41.5Very low51.8Low100 Ų100114.4 Ų114.461%0.60666%0.656SS**  trans-102.782.8175.2-169.20000109.1V399V399-V404 HydrophobicContact CB-CG2 4.28Å; V399-V404 HydrophobicContact CG1-CG2 3.43Å; V399-V404 VanDerWaalsContact CG1-CG2 3.43Å
405S40.4Very low50Low102 Ų102112.1 Ų112.171%0.71365%0.647SS**  trans-108.999.2165.362.80000109S407S405-S407 PolarHBondContact O-N 2.8Å; S405-S407 VanDerWaalsContact O-N 3.11Å
406A40.4Very low48.5Very low97 Ų97117.7 Ų117.780%0.80268%0.68SS**  trans-64.7111.1160.200000107.3S408A406-S408 VanDerWaalsContact C-N 3.31Å; A406-S408 PolarHBondContact O-N 2.92Å
407S32.4Very low47Very low115 Ų115120.9 Ų120.980%0.80468%0.675SS**  trans-63.390.7170.429.10000109.4S405S405-S407 PolarHBondContact O-N 2.8Å; S405-S407 VanDerWaalsContact O-N 3.11Å
408S33.6Very low45.7Very low106 Ų106123.8 Ų123.874%0.74169%0.694SS**  trans-107.783.6146.984.20000108.1A406 R410A406-S408 VanDerWaalsContact C-N 3.31Å; A406-S408 PolarHBondContact O-N 2.92Å; S408-R410 VanDerWaalsContact C-N 3.3Å; S408-R410 PolarHBondContact O-N 3.09Å
409E38.1Very low44.2Very low177 Ų177120.5 Ų120.583%0.82769%0.689SS**  trans-70.389.6161.8-74-174.9145.800109
410R34.6Very low42.8Very low278 Ų278123.4 Ų123.4100%1.04970%0.702SS**  trans171.80133.2-93.3-176.8-158.5-161.211.8112S408S408-R410 VanDerWaalsContact C-N 3.3Å; S408-R410 PolarHBondContact O-N 3.09Å

Retrieved 410 of 410 residues in 185.5 ms (Link to these results)

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